6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride

C9H5ClF2N2O2 — CID 134685892

IUPAC6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
SMILESCOc1c(C(=O)Cl)cc(C#N)nc1C(F)F
InChIInChI=1S/C9H5ClF2N2O2/c1-16-7-5(8(10)15)2-4(3-13)14-6(7)9(11)12/h2,9H,1H3
InChIKeyOVHHESLBTXOFCF-UHFFFAOYSA-N
MW246.60 g/mol
LogP2.28
Rot. Bonds3

About 6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride

6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride (PubChem CID 134685892) has the molecular formula C9H5ClF2N2O2 and a molecular weight of 246.60 g/mol. Its IUPAC name is 6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride.

Molecular Properties

Compound Name6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
PubChem CID134685892
Molecular FormulaC9H5ClF2N2O2
Molecular Weight246.60 g/mol
Exact Mass246.00
IUPAC Name6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
SMILESCOc1c(C(=O)Cl)cc(C#N)nc1C(F)F
InChIInChI=1S/C9H5ClF2N2O2/c1-16-7-5(8(10)15)2-4(3-13)14-6(7)9(11)12/h2,9H,1H3
InChIKeyOVHHESLBTXOFCF-UHFFFAOYSA-N
XLogP2.28
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.60
LogP ≤ 52.28
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

3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134674147
5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134685714
6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
CID 130076877
2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 118854739
methyl 2-[3-chloro-6-cyano-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134684415
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
CID 133105714
2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride
CID 134668839
methyl 6-cyano-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134664321
6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride
CID 134686290
methyl 2-[6-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 134684522
methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671057
6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654

Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride?
The IUPAC name of 6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride (CID 134685892) is 6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride.
What is the SMILES notation for 6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride?
The canonical SMILES for 6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride is COc1c(C(=O)Cl)cc(C#N)nc1C(F)F.
What is the InChIKey of 6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride?
The InChIKey is OVHHESLBTXOFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2/c1-16-7-5(8(10)15)2-4(3-13)14-6(7)9(11)12/h2,9H,1H3.
What are the key properties of 6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride?
6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride has a molecular weight of 246.60 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride is sourced from PubChem (CID 134685892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).