5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide

C18H13BrFN3O — CID 109198855

IUPAC5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C18H13BrFN3O/c19-12-4-3-5-13(10-12)22-14-8-9-17(21-11-14)18(24)23-16-7-2-1-6-15(16)20/h1-11,22H,(H,23,24)
InChIKeyXAJILYDQGHQAOJ-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.98
Rot. Bonds4

About 5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide

5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 109198855) has the molecular formula C18H13BrFN3O and a molecular weight of 386.22 g/mol. Its IUPAC name is 5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID109198855
Molecular FormulaC18H13BrFN3O
Molecular Weight386.22 g/mol
Exact Mass385.02
IUPAC Name5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C18H13BrFN3O/c19-12-4-3-5-13(10-12)22-14-8-9-17(21-11-14)18(24)23-16-7-2-1-6-15(16)20/h1-11,22H,(H,23,24)
InChIKeyXAJILYDQGHQAOJ-UHFFFAOYSA-N
XLogP4.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dichloroanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109198867
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
N-(3-bromophenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199748
5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109182312
N-(2,4-dichlorophenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198930
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185426
5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188944
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109198850
5-(tert-butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109195204
5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184344

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide (CID 109198855) is 5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(Nc2cccc(Br)c2)cn1.
What is the InChIKey of 5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is XAJILYDQGHQAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O/c19-12-4-3-5-13(10-12)22-14-8-9-17(21-11-14)18(24)23-16-7-2-1-6-15(16)20/h1-11,22H,(H,23,24).
What are the key properties of 5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide?
5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 386.22 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109198855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).