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

C9H5ClF2N2O2 — CID 134685714

IUPAC5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
SMILESCOc1cc(C#N)c(C(F)F)nc1C(=O)Cl
InChIInChI=1S/C9H5ClF2N2O2/c1-16-5-2-4(3-13)6(9(11)12)14-7(5)8(10)15/h2,9H,1H3
InChIKeyDYDWLVOCEJLFNZ-UHFFFAOYSA-N
MW246.60 g/mol
LogP2.28
Rot. Bonds3

About 5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride

5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride (PubChem CID 134685714) has the molecular formula C9H5ClF2N2O2 and a molecular weight of 246.60 g/mol. Its IUPAC name is 5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
PubChem CID134685714
Molecular FormulaC9H5ClF2N2O2
Molecular Weight246.60 g/mol
Exact Mass246.00
IUPAC Name5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
SMILESCOc1cc(C#N)c(C(F)F)nc1C(=O)Cl
InChIInChI=1S/C9H5ClF2N2O2/c1-16-5-2-4(3-13)6(9(11)12)14-7(5)8(10)15/h2,9H,1H3
InChIKeyDYDWLVOCEJLFNZ-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

6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride
CID 133105710
methyl 2-chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071371
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
6-bromo-5-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134675810
5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride
CID 133099566
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
CID 130077908
6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 134685892
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-carbonyl chloride
CID 118826600
4-cyano-6-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 134685969
2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
CID 130078142
6-cyano-3-methoxypyridine-2-carbonyl chloride
CID 131090812
5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid
CID 130076275

Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride?
The IUPAC name of 5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride (CID 134685714) is 5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride.
What is the SMILES notation for 5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride?
The canonical SMILES for 5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride is COc1cc(C#N)c(C(F)F)nc1C(=O)Cl.
What is the InChIKey of 5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride?
The InChIKey is DYDWLVOCEJLFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2/c1-16-5-2-4(3-13)6(9(11)12)14-7(5)8(10)15/h2,9H,1H3.
What are the key properties of 5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride?
5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-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 5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride is sourced from PubChem (CID 134685714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).