N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride

C13H10ClF3N2O — CID 110756505

IUPACN-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1C(F)(F)F)c1ccncc1
InChIInChI=1S/C13H9F3N2O.ClH/c14-13(15,16)10-3-1-2-4-11(10)18-12(19)9-5-7-17-8-6-9;/h1-8H,(H,18,19);1H
InChIKeyGPSKULHIKKXREJ-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.77
Rot. Bonds2

About N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride

N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110756505) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110756505
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC NameN-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1C(F)(F)F)c1ccncc1
InChIInChI=1S/C13H9F3N2O.ClH/c14-13(15,16)10-3-1-2-4-11(10)18-12(19)9-5-7-17-8-6-9;/h1-8H,(H,18,19);1H
InChIKeyGPSKULHIKKXREJ-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
[4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]boronic acid
CID 44717648
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N-(2-chlorophenyl)pyridine-4-carboxamide;hydrochloride
CID 110756414
3-N-phenyl-5-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107800
3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
CID 61091393
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
N-[5-(pyridine-4-carbonylamino)naphthalen-1-yl]pyridine-4-carboxamide
CID 101437440

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride (CID 110756505) is N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1C(F)(F)F)c1ccncc1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is GPSKULHIKKXREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O.ClH/c14-13(15,16)10-3-1-2-4-11(10)18-12(19)9-5-7-17-8-6-9;/h1-8H,(H,18,19);1H.
What are the key properties of N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride?
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 302.68 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110756505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).