2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid

C10H7F3N4O2 — CID 114195589

IUPAC2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(-n2cc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)5-2-16-17(4-5)7-3-15-8(14)1-6(7)9(18)19/h1-4H,(H2,14,15)(H,18,19)
InChIKeyOPMUFPBAAQVZQM-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.57
Rot. Bonds2

About 2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid

2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 114195589) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID114195589
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC Name2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(-n2cc(C(F)(F)F)cn2)cn1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)5-2-16-17(4-5)7-3-15-8(14)1-6(7)9(18)19/h1-4H,(H2,14,15)(H,18,19)
InChIKeyOPMUFPBAAQVZQM-UHFFFAOYSA-N
XLogP1.57
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 114195589) is 2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid is Nc1cc(C(=O)O)c(-n2cc(C(F)(F)F)cn2)cn1.
What is the InChIKey of 2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is OPMUFPBAAQVZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c11-10(12,13)5-2-16-17(4-5)7-3-15-8(14)1-6(7)9(18)19/h1-4H,(H2,14,15)(H,18,19).
What are the key properties of 2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 272.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114195589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).