N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C13H9ClF3N3O — CID 114908264

IUPACN-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1cc(Cl)ccc1NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H9ClF3N3O/c14-8-2-4-10(9(18)5-8)20-12(21)11-3-1-7(6-19-11)13(15,16)17/h1-6H,18H2,(H,20,21)
InChIKeyFMXSDIUPMRTMND-UHFFFAOYSA-N
MW315.68 g/mol
LogP3.59
Rot. Bonds2

About N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 114908264) has the molecular formula C13H9ClF3N3O and a molecular weight of 315.68 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID114908264
Molecular FormulaC13H9ClF3N3O
Molecular Weight315.68 g/mol
Exact Mass315.04
IUPAC NameN-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1cc(Cl)ccc1NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H9ClF3N3O/c14-8-2-4-10(9(18)5-8)20-12(21)11-3-1-7(6-19-11)13(15,16)17/h1-6H,18H2,(H,20,21)
InChIKeyFMXSDIUPMRTMND-UHFFFAOYSA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271
N-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577245
N-(2-amino-4-chlorophenyl)pyrazine-2-carboxamide
CID 16777409
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107334173
N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66464357
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 102921222
N-(5-chloropyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107595663
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 114908264) is N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is Nc1cc(Cl)ccc1NC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FMXSDIUPMRTMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O/c14-8-2-4-10(9(18)5-8)20-12(21)11-3-1-7(6-19-11)13(15,16)17/h1-6H,18H2,(H,20,21).
What are the key properties of N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 315.68 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114908264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).