N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide

C19H13BrF3N3O — CID 23632776

IUPACN-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cccnc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13BrF3N3O/c20-15-5-1-2-6-16(15)26-18(27)14-4-3-11-24-17(14)25-13-9-7-12(8-10-13)19(21,22)23/h1-11H,(H,24,25)(H,26,27)
InChIKeyCWWCMXAZVKZUOV-UHFFFAOYSA-N
MW436.23 g/mol
LogP5.86
Rot. Bonds4

About N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 23632776) has the molecular formula C19H13BrF3N3O and a molecular weight of 436.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID23632776
Molecular FormulaC19H13BrF3N3O
Molecular Weight436.23 g/mol
Exact Mass435.02
IUPAC NameN-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cccnc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13BrF3N3O/c20-15-5-1-2-6-16(15)26-18(27)14-4-3-11-24-17(14)25-13-9-7-12(8-10-13)19(21,22)23/h1-11H,(H,24,25)(H,26,27)
InChIKeyCWWCMXAZVKZUOV-UHFFFAOYSA-N
XLogP5.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.23
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 23632878
2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632906
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 12812716
2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 23632649
N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 118724324
N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide
CID 23632783
N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632659
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide
CID 23632780
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819418

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 23632776) is N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(Nc1ccccc1Br)c1cccnc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is CWWCMXAZVKZUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF3N3O/c20-15-5-1-2-6-16(15)26-18(27)14-4-3-11-24-17(14)25-13-9-7-12(8-10-13)19(21,22)23/h1-11H,(H,24,25)(H,26,27).
What are the key properties of N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 436.23 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 23632776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).