Methyl 6-(hydroxymethyl)picolinate

HCID 11513809CAS 39977-44-1

기본 정보

표준 SMILES: COC(=O)c1cccc(CO)n1
InChIKey: DVIUNMLAPDJWHL-UHFFFAOYSA-N
분자식: C8H9NO3
평균 분자량: 167.16 g/mol
단동위원소 질량: 167.05824315

이름 및 식별자

우선 이름: Methyl 6-(hydroxymethyl)picolinate
IUPAC: methyl 6-(hydroxymethyl)pyridine-2-carboxylate
영어명: Methyl-6-hydroxymethyl-2-carboxylate pyridine
분자식: C8H9NO3
분자량: 167.16

이름 및 동의어

39977-44-1methyl 6-(hydroxymethyl)picolinateDTXSID80467819RefChem:157714DTXCID70418638809-354-8Methyl 6-(hydroxymethyl)pyridine-2-carboxylateMethyl-6-hydroxymethyl-2-carboxylate pyridineMethyl 6-(hydroxymethyl)-2-pyridinecarboxylateMFCD03840850Methyl 6-hydroxymethyl-2-pyridine carboxylic acid6-HYDROXYMETHYL-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER

이름 더 보기

Methyl 6-(hydroxymethyl)Methyl-6-hydroxymethyl-2-carboxylate6-(hydroxymethyl)-2-pyridinecarboxylateMETHYL-6-HYDROXYMETHYL-2-PYRIDINE-CARBOXYLATE2-hydroxymethylpyridine-6-carboxylic acid methyl ester

SCHEMBL1839782-(Hydroxymethyl)-6-methoxycarbonylpyridinemethyl 6-hydroxymethylpyridine-2-carboxylateEN300-128737AMY303236-(hydroxymethyl)-2-pyridinecarboxylic acid methyl ester2-PYRIDINECARBOXYLIC ACID, 6-(HYDROXYMETHYL)-, METHYL ESTERA824831

데이터베이스 식별자

CAS: 39977-44-1
PubChem CID: 11513809
DTXSID: DTXSID80467819
EC Number: 809-354-8
Nikkaji: J2.536.171G

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 59.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 178 °C · 178 °C
끓는 점: 327.3 · 327.3±32.0 °C(Predicted)
밀도: 1.244 · 1.244
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 13.03 · 13.03±0.10(Predicted)
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1S/C8H9NO3/c1-12-8(11)7-4-2-3-6(5-10)9-7/h2-4,10H,5H2,1H3
InChIKey: DVIUNMLAPDJWHL-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(CO)=CC=C1

화학적 성질

White or off-white solid

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 40 reports by companies from 3 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

HS 번호: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26

화학 및 산업

응용 분야 · 1건

용도Methyl 6-(Hydroxymethyl)-2-pyridinecarboxylate is a chemical compound used in the synthesis of Losartan (L470500) derivatives as AT1 antagonists in the preparation of antihypertensive agents. Also used to prepare telomerase inhibitors for in vivo inhibitory activity.