5-bromo-3-fluoro-N-propylpyridine-2-carboxamide

C9H10BrFN2O — CID 146027056

IUPAC5-bromo-3-fluoro-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ncc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O/c1-2-3-12-9(14)8-7(11)4-6(10)5-13-8/h4-5H,2-3H2,1H3,(H,12,14)
InChIKeySPBLSMDGAPZVEL-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.12
Rot. Bonds3

About 5-bromo-3-fluoro-N-propylpyridine-2-carboxamide

5-bromo-3-fluoro-N-propylpyridine-2-carboxamide (PubChem CID 146027056) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-propylpyridine-2-carboxamide
PubChem CID146027056
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name5-bromo-3-fluoro-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ncc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O/c1-2-3-12-9(14)8-7(11)4-6(10)5-13-8/h4-5H,2-3H2,1H3,(H,12,14)
InChIKeySPBLSMDGAPZVEL-UHFFFAOYSA-N
XLogP2.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 172610049
5-bromo-N-cyclopropyl-3-fluoropyridine-2-carboxamide
CID 146026980
4-bromo-2,5-difluoro-N-propylbenzamide
CID 146035179
5-bromo-3-chloro-N-ethylpyridine-2-carboxamide
CID 155923575
1-(5-bromo-3-fluoro-2-pyridinyl)ethanethione
CID 165125604
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
CID 62659198
3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide
CID 146074894
2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 104923944
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide
CID 63872824

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-fluoro-N-propylpyridine-2-carboxamide (CID 146027056) is 5-bromo-3-fluoro-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-fluoro-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-fluoro-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-N-propylpyridine-2-carboxamide?
The InChIKey is SPBLSMDGAPZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c1-2-3-12-9(14)8-7(11)4-6(10)5-13-8/h4-5H,2-3H2,1H3,(H,12,14).
What are the key properties of 5-bromo-3-fluoro-N-propylpyridine-2-carboxamide?
5-bromo-3-fluoro-N-propylpyridine-2-carboxamide has a molecular weight of 261.09 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 146027056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).