6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

C11H8F3N3O2 — CID 125495311

IUPAC6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCc1cc(C(F)(F)F)n(-c2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C11H8F3N3O2/c1-6-4-8(11(12,13)14)17(16-6)9-3-2-7(5-15-9)10(18)19/h2-5H,1H3,(H,18,19)
InChIKeyKHLVCIUBQOGWQH-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.29
Rot. Bonds2

About 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 125495311) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID125495311
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCc1cc(C(F)(F)F)n(-c2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C11H8F3N3O2/c1-6-4-8(11(12,13)14)17(16-6)9-3-2-7(5-15-9)10(18)19/h2-5H,1H3,(H,18,19)
InChIKeyKHLVCIUBQOGWQH-UHFFFAOYSA-N
XLogP2.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
6-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 2763614
1-cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16774180
1-[6-[3-(Dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 157010569
2-(5-(2,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901615
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901616
2-(5-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 86725498
2-(5-(3,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205111
2-(5-(4-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205512
2-(2,5-Dimethylpyrrol-1-yl)pyridine-3-carboxylic acid
CID 63653569
6-[Methyl(propyl)amino]pyridine-3-carboxylic acid
CID 43271548

Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (CID 125495311) is 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is Cc1cc(C(F)(F)F)n(-c2ccc(C(=O)O)cn2)n1.
What is the InChIKey of 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is KHLVCIUBQOGWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-6-4-8(11(12,13)14)17(16-6)9-3-2-7(5-15-9)10(18)19/h2-5H,1H3,(H,18,19).
What are the key properties of 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 271.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 125495311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).