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

C13H8ClF3N2O2 — CID 66879857

IUPACN-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(Cl)c1O)c1ccncc1
InChIInChI=1S/C13H8ClF3N2O2/c14-9-5-8(13(15,16)17)6-10(11(9)20)19-12(21)7-1-3-18-4-2-7/h1-6,20H,(H,19,21)
InChIKeyXJCZZABIPOJQLO-UHFFFAOYSA-N
MW316.67 g/mol
LogP3.71
Rot. Bonds2

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

N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 66879857) has the molecular formula C13H8ClF3N2O2 and a molecular weight of 316.67 g/mol. Its IUPAC name is N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID66879857
Molecular FormulaC13H8ClF3N2O2
Molecular Weight316.67 g/mol
Exact Mass316.02
IUPAC NameN-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(Cl)c1O)c1ccncc1
InChIInChI=1S/C13H8ClF3N2O2/c14-9-5-8(13(15,16)17)6-10(11(9)20)19-12(21)7-1-3-18-4-2-7/h1-6,20H,(H,19,21)
InChIKeyXJCZZABIPOJQLO-UHFFFAOYSA-N
XLogP3.71
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 53.71
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-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 70806875
N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 162551404
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
CID 100692060
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149648
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(diethylamino)pyridine-4-carboxamide
CID 109174779
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673432
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 66879857) is N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(Cl)c1O)c1ccncc1.
What is the InChIKey of N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is XJCZZABIPOJQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O2/c14-9-5-8(13(15,16)17)6-10(11(9)20)19-12(21)7-1-3-18-4-2-7/h1-6,20H,(H,19,21).
What are the key properties of N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 316.67 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 66879857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).