6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride

C7H6Cl3NO2 — CID 156880920

IUPAC6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride
SMILESCOc1nc(Cl)ccc1C(=O)Cl.Cl
InChIInChI=1S/C7H5Cl2NO2.ClH/c1-12-7-4(6(9)11)2-3-5(8)10-7;/h2-3H,1H3;1H
InChIKeyIQAORBXZHVJENT-UHFFFAOYSA-N
MW242.49 g/mol
LogP2.54
Rot. Bonds2

About 6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride

6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride (PubChem CID 156880920) has the molecular formula C7H6Cl3NO2 and a molecular weight of 242.49 g/mol. Its IUPAC name is 6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride
PubChem CID156880920
Molecular FormulaC7H6Cl3NO2
Molecular Weight242.49 g/mol
Exact Mass240.95
IUPAC Name6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride
SMILESCOc1nc(Cl)ccc1C(=O)Cl.Cl
InChIInChI=1S/C7H5Cl2NO2.ClH/c1-12-7-4(6(9)11)2-3-5(8)10-7;/h2-3H,1H3;1H
InChIKeyIQAORBXZHVJENT-UHFFFAOYSA-N
XLogP2.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone
CID 86596737
6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 172609889
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid
CID 159765877
(2Z)-2-(6-chloro-2-methoxy-3-pyridinyl)-2-hydrazinylideneethanimine
CID 156845008
6-chloro-2-methoxy-3-propan-2-ylpyridine
CID 130325202
6-chloro-2-hexoxypyridine-3-carboxylic acid
CID 63376967
(Z,3E)-2-(6-chloro-2-methoxy-3-pyridinyl)-3-iodophosphanyliminoprop-1-en-1-amine
CID 156844930
2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate
CID 143641342
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate
CID 150415416
6-chloro-2-phenoxypyridine-3-carboxylic acid
CID 63376812

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride?
The IUPAC name of 6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride (CID 156880920) is 6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride.
What is the SMILES notation for 6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride?
The canonical SMILES for 6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride is COc1nc(Cl)ccc1C(=O)Cl.Cl.
What is the InChIKey of 6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride?
The InChIKey is IQAORBXZHVJENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO2.ClH/c1-12-7-4(6(9)11)2-3-5(8)10-7;/h2-3H,1H3;1H.
What are the key properties of 6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride?
6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride has a molecular weight of 242.49 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride is sourced from PubChem (CID 156880920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).