2-methylpyridine-3-carbonyl chloride;hydrochloride

C7H7Cl2NO — CID 18321920

IUPAC2-methylpyridine-3-carbonyl chloride;hydrochloride
SMILESCc1ncccc1C(=O)Cl.Cl
InChIInChI=1S/C7H6ClNO.ClH/c1-5-6(7(8)10)3-2-4-9-5;/h2-4H,1H3;1H
InChIKeyPREDSQPDUMMLOO-UHFFFAOYSA-N
MW192.05 g/mol
LogP2.19
Rot. Bonds1

About 2-methylpyridine-3-carbonyl chloride;hydrochloride

2-methylpyridine-3-carbonyl chloride;hydrochloride (PubChem CID 18321920) has the molecular formula C7H7Cl2NO and a molecular weight of 192.05 g/mol. Its IUPAC name is 2-methylpyridine-3-carbonyl chloride;hydrochloride.

Molecular Properties

Compound Name2-methylpyridine-3-carbonyl chloride;hydrochloride
PubChem CID18321920
Molecular FormulaC7H7Cl2NO
Molecular Weight192.05 g/mol
Exact Mass190.99
IUPAC Name2-methylpyridine-3-carbonyl chloride;hydrochloride
SMILESCc1ncccc1C(=O)Cl.Cl
InChIInChI=1S/C7H6ClNO.ClH/c1-5-6(7(8)10)3-2-4-9-5;/h2-4H,1H3;1H
InChIKeyPREDSQPDUMMLOO-UHFFFAOYSA-N
XLogP2.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.05
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methylpyridine-3-carboxylate
CID 7015327
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride
CID 86185812
2-chloropyridine-3-carbonyl chloride;ethane
CID 91362446
2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
CID 20585684
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
(4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone
CID 118997236
1-(2-methyl-3-pyridinyl)but-3-yn-1-one
CID 105076440
N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 82402283

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine-3-carbonyl chloride;hydrochloride?
The IUPAC name of 2-methylpyridine-3-carbonyl chloride;hydrochloride (CID 18321920) is 2-methylpyridine-3-carbonyl chloride;hydrochloride.
What is the SMILES notation for 2-methylpyridine-3-carbonyl chloride;hydrochloride?
The canonical SMILES for 2-methylpyridine-3-carbonyl chloride;hydrochloride is Cc1ncccc1C(=O)Cl.Cl.
What is the InChIKey of 2-methylpyridine-3-carbonyl chloride;hydrochloride?
The InChIKey is PREDSQPDUMMLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO.ClH/c1-5-6(7(8)10)3-2-4-9-5;/h2-4H,1H3;1H.
What are the key properties of 2-methylpyridine-3-carbonyl chloride;hydrochloride?
2-methylpyridine-3-carbonyl chloride;hydrochloride has a molecular weight of 192.05 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine-3-carbonyl chloride;hydrochloride is sourced from PubChem (CID 18321920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).