N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide

C14H10BrClF3N3O — CID 71250988

IUPACN-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide
SMILESCNc1c(Br)cc(C(F)(F)F)cc1NC(=O)c1ncccc1Cl
InChIInChI=1S/C14H10BrClF3N3O/c1-20-11-8(15)5-7(14(17,18)19)6-10(11)22-13(23)12-9(16)3-2-4-21-12/h2-6,20H,1H3,(H,22,23)
InChIKeyYXQFAVNVSZJPJK-UHFFFAOYSA-N
MW408.61 g/mol
LogP4.81
Rot. Bonds3

About N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide

N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide (PubChem CID 71250988) has the molecular formula C14H10BrClF3N3O and a molecular weight of 408.61 g/mol. Its IUPAC name is N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide
PubChem CID71250988
Molecular FormulaC14H10BrClF3N3O
Molecular Weight408.61 g/mol
Exact Mass406.96
IUPAC NameN-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide
SMILESCNc1c(Br)cc(C(F)(F)F)cc1NC(=O)c1ncccc1Cl
InChIInChI=1S/C14H10BrClF3N3O/c1-20-11-8(15)5-7(14(17,18)19)6-10(11)22-13(23)12-9(16)3-2-4-21-12/h2-6,20H,1H3,(H,22,23)
InChIKeyYXQFAVNVSZJPJK-UHFFFAOYSA-N
XLogP4.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 118216736
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 2779745
3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104742636
3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 113447794
2-bromo-N-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103943464
3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 175833514
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861481
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110299286
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
2-N,6-N-bis(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-dicarboxamide
CID 30772806

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide (CID 71250988) is N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide is CNc1c(Br)cc(C(F)(F)F)cc1NC(=O)c1ncccc1Cl.
What is the InChIKey of N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide?
The InChIKey is YXQFAVNVSZJPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3N3O/c1-20-11-8(15)5-7(14(17,18)19)6-10(11)22-13(23)12-9(16)3-2-4-21-12/h2-6,20H,1H3,(H,22,23).
What are the key properties of N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide?
N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide has a molecular weight of 408.61 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide is sourced from PubChem (CID 71250988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).