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

C8H3ClF5NO3 — CID 118805459

IUPAC4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(OC(F)(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C8H3ClF5NO3/c9-4-2(18-8(12,13)14)1-15-5(7(16)17)3(4)6(10)11/h1,6H,(H,16,17)
InChIKeyNFMULKJKHVFOFC-UHFFFAOYSA-N
MW291.56 g/mol
LogP3.27
Rot. Bonds3

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

4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 118805459) has the molecular formula C8H3ClF5NO3 and a molecular weight of 291.56 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID118805459
Molecular FormulaC8H3ClF5NO3
Molecular Weight291.56 g/mol
Exact Mass290.97
IUPAC Name4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(OC(F)(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C8H3ClF5NO3/c9-4-2(18-8(12,13)14)1-15-5(7(16)17)3(4)6(10)11/h1,6H,(H,16,17)
InChIKeyNFMULKJKHVFOFC-UHFFFAOYSA-N
XLogP3.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118828504
3-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134672974
4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130099404
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134678961
4-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118824021
5-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670456
3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089873
3-(chloromethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134658890
2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 119017878
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677793
4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118811808
2-[2-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118832558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 118805459) is 4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncc(OC(F)(F)F)c(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is NFMULKJKHVFOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF5NO3/c9-4-2(18-8(12,13)14)1-15-5(7(16)17)3(4)6(10)11/h1,6H,(H,16,17).
What are the key properties of 4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 291.56 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 118805459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).