5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide

C10H12ClIN2O — CID 106846441

IUPAC5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide
SMILESO=C(NCCCCI)c1ccc(Cl)cn1
InChIInChI=1S/C10H12ClIN2O/c11-8-3-4-9(14-7-8)10(15)13-6-2-1-5-12/h3-4,7H,1-2,5-6H2,(H,13,15)
InChIKeyINZLJWWQSFIGHH-UHFFFAOYSA-N
MW338.58 g/mol
LogP2.68
Rot. Bonds5

About 5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide

5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide (PubChem CID 106846441) has the molecular formula C10H12ClIN2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide
PubChem CID106846441
Molecular FormulaC10H12ClIN2O
Molecular Weight338.58 g/mol
Exact Mass337.97
IUPAC Name5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide
SMILESO=C(NCCCCI)c1ccc(Cl)cn1
InChIInChI=1S/C10H12ClIN2O/c11-8-3-4-9(14-7-8)10(15)13-6-2-1-5-12/h3-4,7H,1-2,5-6H2,(H,13,15)
InChIKeyINZLJWWQSFIGHH-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103757956
N-(6-iodohexyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107848615
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide
CID 131894667
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
CID 114008622
4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide
CID 107322316
5-amino-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107316260
5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
CID 107231717
N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide
CID 106245143
5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide
CID 107487182

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide (CID 106846441) is 5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide is O=C(NCCCCI)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide?
The InChIKey is INZLJWWQSFIGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN2O/c11-8-3-4-9(14-7-8)10(15)13-6-2-1-5-12/h3-4,7H,1-2,5-6H2,(H,13,15).
What are the key properties of 5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide?
5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide has a molecular weight of 338.58 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 106846441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).