2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide

C9H10BrFN2O — CID 155818610

IUPAC2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(Br)ncc1F
InChIInChI=1S/C9H10BrFN2O/c1-5(2)13-9(14)6-3-8(10)12-4-7(6)11/h3-5H,1-2H3,(H,13,14)
InChIKeyVKWFBTUGEYFMNP-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.12
Rot. Bonds2

About 2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide

2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 155818610) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide
PubChem CID155818610
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(Br)ncc1F
InChIInChI=1S/C9H10BrFN2O/c1-5(2)13-9(14)6-3-8(10)12-4-7(6)11/h3-5H,1-2H3,(H,13,14)
InChIKeyVKWFBTUGEYFMNP-UHFFFAOYSA-N
XLogP2.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-5-fluoro-4-pyridinyl)ethanone
CID 25222946
1-(2-bromo-5-fluoro-4-pyridinyl)-2,2-diethoxyethanone
CID 118924355
1-(2-bromo-5-fluoro-4-pyridinyl)-2,2-difluoroethanone
CID 171367762
2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide
CID 139030542
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860
2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375937
5-cyano-2-fluoro-N-propan-2-ylbenzamide
CID 83405153
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
methyl 2-(2-bromo-5-fluoro-4-pyridinyl)-5-chlorobenzoate
CID 134324029

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide (CID 155818610) is 2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide is CC(C)NC(=O)c1cc(Br)ncc1F.
What is the InChIKey of 2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is VKWFBTUGEYFMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c1-5(2)13-9(14)6-3-8(10)12-4-7(6)11/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide?
2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 261.09 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 155818610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).