N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C14H11F3N2O2 — CID 70806875

IUPACN-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCc1cc(C(F)(F)F)cc(NC(=O)c2ccncc2)c1O
InChIInChI=1S/C14H11F3N2O2/c1-8-6-10(14(15,16)17)7-11(12(8)20)19-13(21)9-2-4-18-5-3-9/h2-7,20H,1H3,(H,19,21)
InChIKeyPURRHJBAZHBCNT-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.37
Rot. Bonds2

About N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 70806875) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID70806875
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC NameN-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCc1cc(C(F)(F)F)cc(NC(=O)c2ccncc2)c1O
InChIInChI=1S/C14H11F3N2O2/c1-8-6-10(14(15,16)17)7-11(12(8)20)19-13(21)9-2-4-18-5-3-9/h2-7,20H,1H3,(H,19,21)
InChIKeyPURRHJBAZHBCNT-UHFFFAOYSA-N
XLogP3.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66879857
N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 162551404
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149648
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
CID 163288303
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 70806875) is N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is Cc1cc(C(F)(F)F)cc(NC(=O)c2ccncc2)c1O.
What is the InChIKey of N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is PURRHJBAZHBCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-8-6-10(14(15,16)17)7-11(12(8)20)19-13(21)9-2-4-18-5-3-9/h2-7,20H,1H3,(H,19,21).
What are the key properties of N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 70806875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).