3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C13H10F3N3O2 — CID 104742636

IUPAC3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)7-3-4-10(20)9(6-7)19-12(21)11-8(17)2-1-5-18-11/h1-6,20H,17H2,(H,19,21)
InChIKeyAAYSZFZIXXWWDY-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.64
Rot. Bonds2

About 3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 104742636) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID104742636
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)7-3-4-10(20)9(6-7)19-12(21)11-8(17)2-1-5-18-11/h1-6,20H,17H2,(H,19,21)
InChIKeyAAYSZFZIXXWWDY-UHFFFAOYSA-N
XLogP2.64
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 174638461
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 104741384
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
3-amino-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 107594913
3-amino-N-(5-carbamoyl-2-fluorophenyl)pyridine-2-carboxamide
CID 104741270
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859
3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107625379
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 3042222
3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 113447794
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
CID 81196961

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 104742636) is 3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is AAYSZFZIXXWWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)7-3-4-10(20)9(6-7)19-12(21)11-8(17)2-1-5-18-11/h1-6,20H,17H2,(H,19,21).
What are the key properties of 3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 297.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 104742636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).