4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid

C7H3Cl2F2NO2 — CID 130099404

IUPAC4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)c(Cl)c1C(F)F
InChIInChI=1S/C7H3Cl2F2NO2/c8-2-1-12-5(7(13)14)3(4(2)9)6(10)11/h1,6H,(H,13,14)
InChIKeyJLLPNRWZKBBQLV-UHFFFAOYSA-N
MW242.01 g/mol
LogP3.02
Rot. Bonds2

About 4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid

4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130099404) has the molecular formula C7H3Cl2F2NO2 and a molecular weight of 242.01 g/mol. Its IUPAC name is 4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID130099404
Molecular FormulaC7H3Cl2F2NO2
Molecular Weight242.01 g/mol
Exact Mass240.95
IUPAC Name4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)c(Cl)c1C(F)F
InChIInChI=1S/C7H3Cl2F2NO2/c8-2-1-12-5(7(13)14)3(4(2)9)6(10)11/h1,6H,(H,13,14)
InChIKeyJLLPNRWZKBBQLV-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

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Related Compounds

4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805459
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075661
4,5-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118800112
4,5-dichloro-3-(difluoromethyl)pyridin-2-amine
CID 119024495
3-amino-5-chloro-4-(difluoromethyl)pyridine-2-carboxamide
CID 130103158
5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074385
5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108425
3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133102250
5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095648
3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid
CID 130080806
3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130071333
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118839306

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid (CID 130099404) is 4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1ncc(Cl)c(Cl)c1C(F)F.
What is the InChIKey of 4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is JLLPNRWZKBBQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F2NO2/c8-2-1-12-5(7(13)14)3(4(2)9)6(10)11/h1,6H,(H,13,14).
What are the key properties of 4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid?
4,5-dichloro-3-(difluoromethyl)pyridine-2-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 4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130099404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).