N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide

C13H9ClF3N3O — CID 66464357

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C13H9ClF3N3O/c14-9-6-19-4-3-8(9)12(21)20-11-2-1-7(5-10(11)18)13(15,16)17/h1-6H,18H2,(H,20,21)
InChIKeyWRJWYFJVMWKBLP-UHFFFAOYSA-N
MW315.68 g/mol
LogP3.59
Rot. Bonds2

About N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide

N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide (PubChem CID 66464357) has the molecular formula C13H9ClF3N3O and a molecular weight of 315.68 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide
PubChem CID66464357
Molecular FormulaC13H9ClF3N3O
Molecular Weight315.68 g/mol
Exact Mass315.04
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C13H9ClF3N3O/c14-9-6-19-4-3-8(9)12(21)20-11-2-1-7(5-10(11)18)13(15,16)17/h1-6H,18H2,(H,20,21)
InChIKeyWRJWYFJVMWKBLP-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

3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16775252
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405
N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 102921222
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
CID 75508828
2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103874425
N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908264
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid
CID 66463779
N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64949859

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide (CID 66464357) is N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide is Nc1cc(C(F)(F)F)ccc1NC(=O)c1ccncc1Cl.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide?
The InChIKey is WRJWYFJVMWKBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O/c14-9-6-19-4-3-8(9)12(21)20-11-2-1-7(5-10(11)18)13(15,16)17/h1-6H,18H2,(H,20,21).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-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-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 66464357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).