6-메틸-2-피리딘카르복실산

6-Methylpyridine-2-carboxylic acid

HCID 70282CAS 934-60-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc(C(=O)O)n1
InChIKey: LTUUGSGSUZRPRV-UHFFFAOYSA-N
분자식: C7H7NO2
평균 분자량: 137.14 g/mol
단동위원소 질량: 137.04767846

이름 및 식별자

우선 이름: 6-Methylpyridine-2-carboxylic acid
IUPAC: 6-methylpyridine-2-carboxylic acid
현지명: 6-메틸-2-피리딘카르복실산
영어명: 6-Methyl-2-pyridinecarboxylic acid
분자식: C7H7NO2
분자량: 137.14

이름 및 동의어

6-Methylpicolinic acid6-Methylpyridine-2-carboxylic acid6-methyl picolinic acidKB675Y352LEINECS 213-287-4UNII-KB675Y352LNSC 26023NSC-26023LTUUGSGSUZRPRV-UHFFFAOYSA-DTXSID20239416RefChem:105057DTXCID40161907

이름 더 보기

6-메틸-2-피리딘카르복실산6-METHYL-2-PICOLINIC ACIDNSC 109143IFLAB-BB F1790-0068RARECHEM AL BO 1402-2-pyridinecarboxyL6-Methylpicolinic acid,97%

213-287-4InChI=1/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)LTUUGSGSUZRPRV-UHFFFAOYSA-N934-60-16-Methyl-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 6-methyl-2-Picoline-6-carboxylic acidPicolinic acid, 6-methyl-

데이터베이스 식별자

CAS: 934-60-1
PubChem CID: 70282
DTXSID: DTXSID20239416
ChEMBL: CHEMBL1650458
UNII: KB675Y352L
EC Number: 213-287-4
Nikkaji: J101.238J

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 136

실험 및 물리화학적 성질

LogP-1.22

물리화학적 성질

녹는점: 130 °C · 130 °C
끓는 점: 100 °C/4.5mm · 100°C/4.5mm
밀도: 1.23 · 1.230±0.06 g/cm3(Predicted)
인화점: 100 °C/4.5mm · 100°C/4.5mm
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
수용성: 물에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 1 · pK1:5.83 (25°C)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)
InChIKey: LTUUGSGSUZRPRV-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC(C)=CC=C1
NIST: 6 · 6-Methyl picolinic acid(934-60-1)

화학적 성질

White to beige powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Pharmacological activity studied in regard to: Interactions of carrier ligands of antidiabetic metal complexes with human serum albuminAbility to chelate metalloenzyme inhibitorsInteractions of insulin-mimetic zinc(II) complexes with cell constituentsReactant for: Synthesis of inhibitors of human 11β -hydroxysteroid dehydrogenase type 1Lewis base organocatalysts for stereoselective hydrosilylation reactionsBiological studies of insulin-enhancing complexes

일반 설명6-Methylpyridine-2-carboxylic acid (2-carboxy-6-methylpyridine, 6-methylpicolinic acid) is a heterocyclic building block.

상·하류 제품 정보

상류 원료

공급사50 곳

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