3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide

C10H12BrIN2O — CID 107526349

IUPAC3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
SMILESO=C(NCCCCI)c1ncccc1Br
InChIInChI=1S/C10H12BrIN2O/c11-8-4-3-7-13-9(8)10(15)14-6-2-1-5-12/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyCFXYIWSREPRBFM-UHFFFAOYSA-N
MW383.03 g/mol
LogP2.79
Rot. Bonds5

About 3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide

3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide (PubChem CID 107526349) has the molecular formula C10H12BrIN2O and a molecular weight of 383.03 g/mol. Its IUPAC name is 3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
PubChem CID107526349
Molecular FormulaC10H12BrIN2O
Molecular Weight383.03 g/mol
Exact Mass381.92
IUPAC Name3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
SMILESO=C(NCCCCI)c1ncccc1Br
InChIInChI=1S/C10H12BrIN2O/c11-8-4-3-7-13-9(8)10(15)14-6-2-1-5-12/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyCFXYIWSREPRBFM-UHFFFAOYSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.03
LogP ≤ 52.79
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

3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
CID 107843919
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide
CID 107517449
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid
CID 107517184
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 107519370
3-bromo-2-fluoro-N-(6-iodohexyl)benzamide
CID 114020519
3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 107518109

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide (CID 107526349) is 3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide is O=C(NCCCCI)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide?
The InChIKey is CFXYIWSREPRBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrIN2O/c11-8-4-3-7-13-9(8)10(15)14-6-2-1-5-12/h3-4,7H,1-2,5-6H2,(H,14,15).
What are the key properties of 3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide?
3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide has a molecular weight of 383.03 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 107526349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).