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

C18H13BrFN3O — CID 23632878

IUPAC2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cccnc1Nc1ccccc1Br
InChIInChI=1S/C18H13BrFN3O/c19-13-7-1-3-9-15(13)22-17-12(6-5-11-21-17)18(24)23-16-10-4-2-8-14(16)20/h1-11H,(H,21,22)(H,23,24)
InChIKeyVCAOXEOYYBEKKH-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.98
Rot. Bonds4

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

2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide (PubChem CID 23632878) has the molecular formula C18H13BrFN3O and a molecular weight of 386.22 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
PubChem CID23632878
Molecular FormulaC18H13BrFN3O
Molecular Weight386.22 g/mol
Exact Mass385.02
IUPAC Name2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cccnc1Nc1ccccc1Br
InChIInChI=1S/C18H13BrFN3O/c19-13-7-1-3-9-15(13)22-17-12(6-5-11-21-17)18(24)23-16-10-4-2-8-14(16)20/h1-11H,(H,21,22)(H,23,24)
InChIKeyVCAOXEOYYBEKKH-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

N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632769
N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 23632776
2-(2-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632686
2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632906
3-bromo-N-(2-fluorophenyl)pyridin-2-amine
CID 61373543
2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 51335853
2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide
CID 23632780
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766
2-(2-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 23632516
N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide
CID 23632783
N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 118724324

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide (CID 23632878) is 2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1F)c1cccnc1Nc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is VCAOXEOYYBEKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O/c19-13-7-1-3-9-15(13)22-17-12(6-5-11-21-17)18(24)23-16-10-4-2-8-14(16)20/h1-11H,(H,21,22)(H,23,24).
What are the key properties of 2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-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 2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23632878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).