4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide

C12H8BrF2N3O — CID 81245018

IUPAC4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H8BrF2N3O/c13-6-3-8(14)11(9(15)4-6)18-12(19)7-5-17-2-1-10(7)16/h1-5H,(H2,16,17)(H,18,19)
InChIKeyJKVBPLXGGGRWSN-UHFFFAOYSA-N
MW328.12 g/mol
LogP2.96
Rot. Bonds2

About 4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide

4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide (PubChem CID 81245018) has the molecular formula C12H8BrF2N3O and a molecular weight of 328.12 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide
PubChem CID81245018
Molecular FormulaC12H8BrF2N3O
Molecular Weight328.12 g/mol
Exact Mass326.98
IUPAC Name4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H8BrF2N3O/c13-6-3-8(14)11(9(15)4-6)18-12(19)7-5-17-2-1-10(7)16/h1-5H,(H2,16,17)(H,18,19)
InChIKeyJKVBPLXGGGRWSN-UHFFFAOYSA-N
XLogP2.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81235699
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65469243
4-amino-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 81235930
3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
CID 107121169
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methylbenzamide
CID 65469438
4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107578409
N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
CID 65470097
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405
4-amino-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 81235051
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
CID 79754685
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide (CID 81245018) is 4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide is Nc1ccncc1C(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is JKVBPLXGGGRWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N3O/c13-6-3-8(14)11(9(15)4-6)18-12(19)7-5-17-2-1-10(7)16/h1-5H,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide?
4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 328.12 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 81245018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).