6-cyano-3-methoxypyridine-2-carbonyl chloride

C8H5ClN2O2 — CID 131090812

IUPAC6-cyano-3-methoxypyridine-2-carbonyl chloride
SMILESCOc1ccc(C#N)nc1C(=O)Cl
InChIInChI=1S/C8H5ClN2O2/c1-13-6-3-2-5(4-10)11-7(6)8(9)12/h2-3H,1H3
InChIKeyFQIREVFVSULEES-UHFFFAOYSA-N
MW196.59 g/mol
LogP1.34
Rot. Bonds2

About 6-cyano-3-methoxypyridine-2-carbonyl chloride

6-cyano-3-methoxypyridine-2-carbonyl chloride (PubChem CID 131090812) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is 6-cyano-3-methoxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-cyano-3-methoxypyridine-2-carbonyl chloride
PubChem CID131090812
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Name6-cyano-3-methoxypyridine-2-carbonyl chloride
SMILESCOc1ccc(C#N)nc1C(=O)Cl
InChIInChI=1S/C8H5ClN2O2/c1-13-6-3-2-5(4-10)11-7(6)8(9)12/h2-3H,1H3
InChIKeyFQIREVFVSULEES-UHFFFAOYSA-N
XLogP1.34
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134685714
1-(6-chloro-3-methoxy-2-pyridinyl)ethanone
CID 119004175
tert-butyl 3-chloro-6-cyanopyridine-2-carboxylate
CID 163275997
3-cyano-6-methoxy-2-nitrobenzoyl chloride
CID 171027372
methyl 6-cyano-2-methoxypyridine-3-carboxylate
CID 131010870
5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096355
3-cyano-2-fluoro-6-methoxybenzoyl chloride
CID 171022041
6-cyano-3-methoxy-2-methylbenzoyl chloride
CID 171026837
2-amino-6-cyanopyridine-3-carbonyl chloride
CID 130924272
5-methoxy-2-methylpyrimidine-4-carbonyl chloride
CID 119084988
4-cyano-3-methoxybenzoyl chloride
CID 45081742
6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 133107472

Frequently Asked Questions

What is the IUPAC name of 6-cyano-3-methoxypyridine-2-carbonyl chloride?
The IUPAC name of 6-cyano-3-methoxypyridine-2-carbonyl chloride (CID 131090812) is 6-cyano-3-methoxypyridine-2-carbonyl chloride.
What is the SMILES notation for 6-cyano-3-methoxypyridine-2-carbonyl chloride?
The canonical SMILES for 6-cyano-3-methoxypyridine-2-carbonyl chloride is COc1ccc(C#N)nc1C(=O)Cl.
What is the InChIKey of 6-cyano-3-methoxypyridine-2-carbonyl chloride?
The InChIKey is FQIREVFVSULEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2/c1-13-6-3-2-5(4-10)11-7(6)8(9)12/h2-3H,1H3.
What are the key properties of 6-cyano-3-methoxypyridine-2-carbonyl chloride?
6-cyano-3-methoxypyridine-2-carbonyl chloride has a molecular weight of 196.59 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-3-methoxypyridine-2-carbonyl chloride is sourced from PubChem (CID 131090812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).