4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid

C12H8ClFN2O2 — CID 43143085

IUPAC4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C12H8ClFN2O2/c13-9-5-7(1-2-10(9)14)16-8-3-4-15-11(6-8)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyRWHLPTYHTMRQBU-UHFFFAOYSA-N
MW266.66 g/mol
LogP3.32
Rot. Bonds3

About 4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid

4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid (PubChem CID 43143085) has the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid
PubChem CID43143085
Molecular FormulaC12H8ClFN2O2
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C12H8ClFN2O2/c13-9-5-7(1-2-10(9)14)16-8-3-4-15-11(6-8)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyRWHLPTYHTMRQBU-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloropyridine-2-carboxylic acid
CID 230890
4-(Dimethylamino)pyridine-2-carboxylic acid
CID 2050134
4-(Pyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 269643
4-Aminopicolinic acid
CID 2050132
4-(Piperidin-1-yl)picolinic acid
CID 270402
3-Chloropyridine-2-carboxylic acid
CID 824632
4-(Methylamino)-2-pyridinecarboxylic acid
CID 2050133
5-Chloro-2-picolinic acid
CID 2762872
[2-(3-Chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088651
4-(Benzylamino)pyridine-2-carboxylic acid
CID 2474277
4-Amino-3-chloropyridine-2-carboxylic acid
CID 2762773
4-Chloro-3-fluoro-2-pyridinecarboxylic acid
CID 11469373

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid (CID 43143085) is 4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid is O=C(O)c1cc(Nc2ccc(F)c(Cl)c2)ccn1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid?
The InChIKey is RWHLPTYHTMRQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2/c13-9-5-7(1-2-10(9)14)16-8-3-4-15-11(6-8)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid?
4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid has a molecular weight of 266.66 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 43143085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).