3-bromo-2-(2-chloropentyl)pyridine

C10H13BrClN — CID 63203121

IUPAC3-bromo-2-(2-chloropentyl)pyridine
SMILESCCCC(Cl)Cc1ncccc1Br
InChIInChI=1S/C10H13BrClN/c1-2-4-8(12)7-10-9(11)5-3-6-13-10/h3,5-6,8H,2,4,7H2,1H3
InChIKeyMXOQSQJKMNJMHU-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.79
Rot. Bonds4

About 3-bromo-2-(2-chloropentyl)pyridine

3-bromo-2-(2-chloropentyl)pyridine (PubChem CID 63203121) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 3-bromo-2-(2-chloropentyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(2-chloropentyl)pyridine
PubChem CID63203121
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name3-bromo-2-(2-chloropentyl)pyridine
SMILESCCCC(Cl)Cc1ncccc1Br
InChIInChI=1S/C10H13BrClN/c1-2-4-8(12)7-10-9(11)5-3-6-13-10/h3,5-6,8H,2,4,7H2,1H3
InChIKeyMXOQSQJKMNJMHU-UHFFFAOYSA-N
XLogP3.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
3-bromo-2-(3-bromo-2-methylbutyl)pyridine
CID 130576080
3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine
CID 63203575
1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
CID 130575838
3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine
CID 130576837
2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
CID 130576237
4-(3-bromo-2-pyridinyl)butan-2-ol
CID 130576069
(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
CID 103694350
4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589412
2-(3-bromo-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
CID 63353363
2-amino-3-(3-bromo-2-pyridinyl)propanamide
CID 130575756
1-(3-chloro-2-pyridinyl)pentan-2-ol
CID 63201642

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-chloropentyl)pyridine?
The IUPAC name of 3-bromo-2-(2-chloropentyl)pyridine (CID 63203121) is 3-bromo-2-(2-chloropentyl)pyridine.
What is the SMILES notation for 3-bromo-2-(2-chloropentyl)pyridine?
The canonical SMILES for 3-bromo-2-(2-chloropentyl)pyridine is CCCC(Cl)Cc1ncccc1Br.
What is the InChIKey of 3-bromo-2-(2-chloropentyl)pyridine?
The InChIKey is MXOQSQJKMNJMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-2-4-8(12)7-10-9(11)5-3-6-13-10/h3,5-6,8H,2,4,7H2,1H3.
What are the key properties of 3-bromo-2-(2-chloropentyl)pyridine?
3-bromo-2-(2-chloropentyl)pyridine has a molecular weight of 262.58 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-chloropentyl)pyridine is sourced from PubChem (CID 63203121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).