2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide

C16H9ClF3N3O — CID 87189922

IUPAC2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2cc(C(F)(F)F)c(Cl)nc12
InChIInChI=1S/C16H9ClF3N3O/c17-14-11(16(18,19)20)8-9-4-3-5-10(13(9)23-14)15(24)22-12-6-1-2-7-21-12/h1-8H,(H,21,22,24)
InChIKeyBLZGBKXPCDBJDN-UHFFFAOYSA-N
MW351.72 g/mol
LogP4.55
Rot. Bonds2

About 2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide

2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide (PubChem CID 87189922) has the molecular formula C16H9ClF3N3O and a molecular weight of 351.72 g/mol. Its IUPAC name is 2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide.

Molecular Properties

Compound Name2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
PubChem CID87189922
Molecular FormulaC16H9ClF3N3O
Molecular Weight351.72 g/mol
Exact Mass351.04
IUPAC Name2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2cc(C(F)(F)F)c(Cl)nc12
InChIInChI=1S/C16H9ClF3N3O/c17-14-11(16(18,19)20)8-9-4-3-5-10(13(9)23-14)15(24)22-12-6-1-2-7-21-12/h1-8H,(H,21,22,24)
InChIKeyBLZGBKXPCDBJDN-UHFFFAOYSA-N
XLogP4.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.72
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
CID 58154708
2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide
CID 87189840
N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide
CID 175943084
N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681910
N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279014
3-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-2-ylquinoxaline-5-carboxamide
CID 161355859
N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58279245
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide
CID 108515817
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279059
N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide
CID 58154775
5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 167799653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide?
The IUPAC name of 2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide (CID 87189922) is 2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide.
What is the SMILES notation for 2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide?
The canonical SMILES for 2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide is O=C(Nc1ccccn1)c1cccc2cc(C(F)(F)F)c(Cl)nc12.
What is the InChIKey of 2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide?
The InChIKey is BLZGBKXPCDBJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3O/c17-14-11(16(18,19)20)8-9-4-3-5-10(13(9)23-14)15(24)22-12-6-1-2-7-21-12/h1-8H,(H,21,22,24).
What are the key properties of 2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide?
2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide has a molecular weight of 351.72 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide is sourced from PubChem (CID 87189922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).