2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid

C7H3Cl2F2NO2 — CID 119009190

IUPAC2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)nc(Cl)c1Cl
InChIInChI=1S/C7H3Cl2F2NO2/c8-4-2(7(13)14)1-3(6(10)11)12-5(4)9/h1,6H,(H,13,14)
InChIKeyIQNKMCCBLDXWSM-UHFFFAOYSA-N
MW242.01 g/mol
LogP3.02
Rot. Bonds2

About 2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid

2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid (PubChem CID 119009190) has the molecular formula C7H3Cl2F2NO2 and a molecular weight of 242.01 g/mol. Its IUPAC name is 2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
PubChem CID119009190
Molecular FormulaC7H3Cl2F2NO2
Molecular Weight242.01 g/mol
Exact Mass240.95
IUPAC Name2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)nc(Cl)c1Cl
InChIInChI=1S/C7H3Cl2F2NO2/c8-4-2(7(13)14)1-3(6(10)11)12-5(4)9/h1,6H,(H,13,14)
InChIKeyIQNKMCCBLDXWSM-UHFFFAOYSA-N
XLogP3.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.01
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 119024451
2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119002941
2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid
CID 119021689
6-(difluoromethyl)-2-fluoro-3-hydroxypyridine-4-carboxylic acid
CID 130079649
3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134684920
2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
CID 119009671
6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119006565
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide
CID 119016503
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carboxylic acid
CID 119021392
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103752
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118996818

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid (CID 119009190) is 2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid is O=C(O)c1cc(C(F)F)nc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is IQNKMCCBLDXWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F2NO2/c8-4-2(7(13)14)1-3(6(10)11)12-5(4)9/h1,6H,(H,13,14).
What are the key properties of 2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid?
2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 242.01 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 119009190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).