Methyl 5-cyanopyridine-2-carboxylate

HCID 45082467CAS 76196-66-2

기본 정보

표준 SMILES: COC(=O)c1ccc(C#N)cn1
InChIKey: WJZGQRSIPFDCJX-UHFFFAOYSA-N
분자식: C8H6N2O2
평균 분자량: 162.15 g/mol
단동위원소 질량: 162.04292743

이름 및 식별자

우선 이름: Methyl 5-cyanopyridine-2-carboxylate
IUPAC: methyl 5-cyanopyridine-2-carboxylate
영어명: 2-Pyridinecarboxylicacid,5-cyano-,methylester(9CI)
분자식: C8H6N2O2
분자량: 162.15

이름 및 동의어

76196-66-2methyl 5-cyanopyridine-2-carboxylateDTXSID90665268RefChem:356065DTXCID30616017830-398-9Methyl 5-cyanopicolinateMFCD118483445-CYANO-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER2-Pyridinecarboxylicacid,5-cyano-,methylester(9CI)5-CYANO-2-PYRIDINECARBOXYLIC ACID METHYL ESTERMethyl 5-cyano-2-pyridinecarboxylate

이름 더 보기

methyl 5-cyanopyridine-2-carboxylate - [M87384]2-Pyridinecarboxylicacid,5-cyano-,methylester(9CI) ISO 9001：2015 REACH

Methyl5-cyanopicolinate2-Pyridinecarboxylic acid, 5-cyano-, methyl esterSCHEMBL991150SCHEMBL30546439WJZGQRSIPFDCJX-UHFFFAOYSA-NBDA19666methyl-5-cyanopyridine-2-carboxylateAKOS013033902

데이터베이스 식별자

CAS: 76196-66-2
PubChem CID: 45082467
DTXSID: DTXSID90665268
EC Number: 830-398-9

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 63 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 218

물리화학적 성질

끓는 점: 323.6 · 323.6±27.0 °C(Predicted)
밀도: 1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -1.75 · -1.75±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.