2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

C15H9F2N3O2 — CID 76901615

IUPAC2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2-c2ccc(F)cc2F)c1
InChIInChI=1S/C15H9F2N3O2/c16-10-1-2-11(12(17)8-10)13-4-6-19-20(13)14-7-9(15(21)22)3-5-18-14/h1-8H,(H,21,22)
InChIKeyWTMJZFIQFSYVHA-UHFFFAOYSA-N
MW301.25 g/mol
LogP2.91
Rot. Bonds3

About 2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 76901615) has the molecular formula C15H9F2N3O2 and a molecular weight of 301.25 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID76901615
Molecular FormulaC15H9F2N3O2
Molecular Weight301.25 g/mol
Exact Mass301.07
IUPAC Name2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2-c2ccc(F)cc2F)c1
InChIInChI=1S/C15H9F2N3O2/c16-10-1-2-11(12(17)8-10)13-4-6-19-20(13)14-7-9(15(21)22)3-5-18-14/h1-8H,(H,21,22)
InChIKeyWTMJZFIQFSYVHA-UHFFFAOYSA-N
XLogP2.91
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid
CID 76901620
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
6-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 2763614
7-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6487614
1-[6-[3-(Dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 157010569
2-[5-(4-bromophenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725517
2-(5-(3-hydroxy-4-methylphenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901248
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901616
2-(5-(4-(methylsulfonyl)phenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901618

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 76901615) is 2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2-c2ccc(F)cc2F)c1.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is WTMJZFIQFSYVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O2/c16-10-1-2-11(12(17)8-10)13-4-6-19-20(13)14-7-9(15(21)22)3-5-18-14/h1-8H,(H,21,22).
What are the key properties of 2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 301.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 76901615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).