6-methoxypyridine-2-carbonyl chloride

C7H6ClNO2 — CID 86688296

IUPAC6-methoxypyridine-2-carbonyl chloride
SMILESCOc1cccc(C(=O)Cl)n1
InChIInChI=1S/C7H6ClNO2/c1-11-6-4-2-3-5(9-6)7(8)10/h2-4H,1H3
InChIKeyNQDGFDNSIYDMJW-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.47
Rot. Bonds2

About 6-methoxypyridine-2-carbonyl chloride

6-methoxypyridine-2-carbonyl chloride (PubChem CID 86688296) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 6-methoxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-methoxypyridine-2-carbonyl chloride
PubChem CID86688296
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name6-methoxypyridine-2-carbonyl chloride
SMILESCOc1cccc(C(=O)Cl)n1
InChIInChI=1S/C7H6ClNO2/c1-11-6-4-2-3-5(9-6)7(8)10/h2-4H,1H3
InChIKeyNQDGFDNSIYDMJW-UHFFFAOYSA-N
XLogP1.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methoxypyridine-2-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxypyridine-2-carboxamide;hydrochloride
CID 172737528
6-methoxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 110856921
1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride
CID 135349233
1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione
CID 156773654
6-methoxy-N-naphthalen-1-ylpyridine-2-carboxamide
CID 84580589
1-(6-methoxy-2-pyridinyl)-2-methylpentane-1,4-dione
CID 103347929
8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone
CID 171943519
(3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone
CID 70836286
4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile
CID 103347923
6-(trideuteriomethoxy)pyridine-2-carboxylic acid
CID 155291992
6-methoxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 84581499
N-butan-2-yl-6-methoxypyridine-2-carboxamide
CID 110848498

Frequently Asked Questions

What is the IUPAC name of 6-methoxypyridine-2-carbonyl chloride?
The IUPAC name of 6-methoxypyridine-2-carbonyl chloride (CID 86688296) is 6-methoxypyridine-2-carbonyl chloride.
What is the SMILES notation for 6-methoxypyridine-2-carbonyl chloride?
The canonical SMILES for 6-methoxypyridine-2-carbonyl chloride is COc1cccc(C(=O)Cl)n1.
What is the InChIKey of 6-methoxypyridine-2-carbonyl chloride?
The InChIKey is NQDGFDNSIYDMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c1-11-6-4-2-3-5(9-6)7(8)10/h2-4H,1H3.
What are the key properties of 6-methoxypyridine-2-carbonyl chloride?
6-methoxypyridine-2-carbonyl chloride has a molecular weight of 171.58 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyridine-2-carbonyl chloride is sourced from PubChem (CID 86688296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).