2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid

C8H3ClF2N2O2 — CID 119015603

IUPAC2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid
SMILESN#Cc1c(Cl)ncc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H3ClF2N2O2/c9-6-3(1-12)5(8(14)15)4(2-13-6)7(10)11/h2,7H,(H,14,15)
InChIKeyHFHODFJYGSHAMQ-UHFFFAOYSA-N
MW232.57 g/mol
LogP2.24
Rot. Bonds2

About 2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid

2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid (PubChem CID 119015603) has the molecular formula C8H3ClF2N2O2 and a molecular weight of 232.57 g/mol. Its IUPAC name is 2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid
PubChem CID119015603
Molecular FormulaC8H3ClF2N2O2
Molecular Weight232.57 g/mol
Exact Mass231.99
IUPAC Name2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid
SMILESN#Cc1c(Cl)ncc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H3ClF2N2O2/c9-6-3(1-12)5(8(14)15)4(2-13-6)7(10)11/h2,7H,(H,14,15)
InChIKeyHFHODFJYGSHAMQ-UHFFFAOYSA-N
XLogP2.24
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.57
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130071333
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075064
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075315
3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride
CID 130103026
3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
CID 130078420
3-(aminomethyl)-2-cyano-6-(difluoromethyl)benzoic acid
CID 134651869
2-cyano-6-(difluoromethyl)-3-nitrobenzoic acid
CID 119013505
2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130099195
2-[2-bromo-3-cyano-5-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119024525
2-[4-bromo-3-cyano-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118805503
4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 118849836

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid (CID 119015603) is 2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid is N#Cc1c(Cl)ncc(C(F)F)c1C(=O)O.
What is the InChIKey of 2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is HFHODFJYGSHAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF2N2O2/c9-6-3(1-12)5(8(14)15)4(2-13-6)7(10)11/h2,7H,(H,14,15).
What are the key properties of 2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid?
2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 232.57 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 119015603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).