3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid

C12H5Cl2F2NO2 — CID 142574457

IUPAC3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)c(F)c2F)ccc1Cl
InChIInChI=1S/C12H5Cl2F2NO2/c13-6-2-1-5(9(15)10(6)16)8-4-3-7(14)11(17-8)12(18)19/h1-4H,(H,18,19)
InChIKeyOCBXIGJSMKMWQC-UHFFFAOYSA-N
MW304.08 g/mol
LogP4.03
Rot. Bonds2

About 3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid

3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid (PubChem CID 142574457) has the molecular formula C12H5Cl2F2NO2 and a molecular weight of 304.08 g/mol. Its IUPAC name is 3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid
PubChem CID142574457
Molecular FormulaC12H5Cl2F2NO2
Molecular Weight304.08 g/mol
Exact Mass302.97
IUPAC Name3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)c(F)c2F)ccc1Cl
InChIInChI=1S/C12H5Cl2F2NO2/c13-6-2-1-5(9(15)10(6)16)8-4-3-7(14)11(17-8)12(18)19/h1-4H,(H,18,19)
InChIKeyOCBXIGJSMKMWQC-UHFFFAOYSA-N
XLogP4.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-amino-5-chloro-2-(4-chloro-2,3-difluorophenyl)pyrimidine-4-carboxylic acid
CID 67048731
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 67420246
4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid
CID 69177481
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133090327
3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 142574205
3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
CID 107645085
3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 142574278
4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid
CID 69130474
methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636585
4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 68598483
4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid
CID 141417503

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid (CID 142574457) is 3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid is O=C(O)c1nc(-c2ccc(Cl)c(F)c2F)ccc1Cl.
What is the InChIKey of 3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is OCBXIGJSMKMWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F2NO2/c13-6-2-1-5(9(15)10(6)16)8-4-3-7(14)11(17-8)12(18)19/h1-4H,(H,18,19).
What are the key properties of 3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid?
3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid has a molecular weight of 304.08 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 142574457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).