2-bromo-5-butylpyridine-3-carboxamide

C10H13BrN2O — CID 173465828

IUPAC2-bromo-5-butylpyridine-3-carboxamide
SMILESCCCCc1cnc(Br)c(C(N)=O)c1
InChIInChI=1S/C10H13BrN2O/c1-2-3-4-7-5-8(10(12)14)9(11)13-6-7/h5-6H,2-4H2,1H3,(H2,12,14)
InChIKeyBTPPXEXWCPQSJT-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.29
Rot. Bonds4

About 2-bromo-5-butylpyridine-3-carboxamide

2-bromo-5-butylpyridine-3-carboxamide (PubChem CID 173465828) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-bromo-5-butylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-5-butylpyridine-3-carboxamide
PubChem CID173465828
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-bromo-5-butylpyridine-3-carboxamide
SMILESCCCCc1cnc(Br)c(C(N)=O)c1
InChIInChI=1S/C10H13BrN2O/c1-2-3-4-7-5-8(10(12)14)9(11)13-6-7/h5-6H,2-4H2,1H3,(H2,12,14)
InChIKeyBTPPXEXWCPQSJT-UHFFFAOYSA-N
XLogP2.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.29
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

2-chloro-5-ethylpyridine-3-carboxamide
CID 123601830
3-bromo-2-fluoro-5-propylbenzamide
CID 58540669
5-amino-2-bromo-N-hexylpyridine-3-carboxamide
CID 166390886
3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid
CID 54460299
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
2-hydroxy-3,5-dipropylbenzamide
CID 3031784
3,7-dibutylpyrido[3,2-g]quinoline-5,10-dione
CID 12020016
diethyl 5-propylpyridine-2,3-dicarboxylate
CID 14097634
2-bromo-5-(3-chloropropyl)-3-ethylsulfonylpyridine
CID 155660490
(5-butyl-2-chloro-3-pyridinyl)methanol
CID 119083937
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
5-bromo-3-butylfuran-2-carboxamide
CID 170987109

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-butylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-5-butylpyridine-3-carboxamide (CID 173465828) is 2-bromo-5-butylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-5-butylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-5-butylpyridine-3-carboxamide is CCCCc1cnc(Br)c(C(N)=O)c1.
What is the InChIKey of 2-bromo-5-butylpyridine-3-carboxamide?
The InChIKey is BTPPXEXWCPQSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-2-3-4-7-5-8(10(12)14)9(11)13-6-7/h5-6H,2-4H2,1H3,(H2,12,14).
What are the key properties of 2-bromo-5-butylpyridine-3-carboxamide?
2-bromo-5-butylpyridine-3-carboxamide has a molecular weight of 257.13 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-butylpyridine-3-carboxamide is sourced from PubChem (CID 173465828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).