3-bromo-5-(3-chloropentyl)pyridine

C10H13BrClN — CID 104810096

IUPAC3-bromo-5-(3-chloropentyl)pyridine
SMILESCCC(Cl)CCc1cncc(Br)c1
InChIInChI=1S/C10H13BrClN/c1-2-10(12)4-3-8-5-9(11)7-13-6-8/h5-7,10H,2-4H2,1H3
InChIKeyVJVSCAJSEWZCIG-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.79
Rot. Bonds4

About 3-bromo-5-(3-chloropentyl)pyridine

3-bromo-5-(3-chloropentyl)pyridine (PubChem CID 104810096) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 3-bromo-5-(3-chloropentyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(3-chloropentyl)pyridine
PubChem CID104810096
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name3-bromo-5-(3-chloropentyl)pyridine
SMILESCCC(Cl)CCc1cncc(Br)c1
InChIInChI=1S/C10H13BrClN/c1-2-10(12)4-3-8-5-9(11)7-13-6-8/h5-7,10H,2-4H2,1H3
InChIKeyVJVSCAJSEWZCIG-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

3-bromo-5-(3-bromohexyl)pyridine
CID 104810133
1-(5-bromo-3-pyridinyl)hexan-3-amine
CID 104799822
3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine
CID 177207439
3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine
CID 104810190
5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
CID 104811963
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine
CID 104812007
4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
CID 104800074
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
CID 104799912
3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 104800108
3-(5-bromo-3-pyridinyl)-N-methyl-1-phenylpropan-1-amine
CID 104799839
6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine
CID 104811931

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-chloropentyl)pyridine?
The IUPAC name of 3-bromo-5-(3-chloropentyl)pyridine (CID 104810096) is 3-bromo-5-(3-chloropentyl)pyridine.
What is the SMILES notation for 3-bromo-5-(3-chloropentyl)pyridine?
The canonical SMILES for 3-bromo-5-(3-chloropentyl)pyridine is CCC(Cl)CCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(3-chloropentyl)pyridine?
The InChIKey is VJVSCAJSEWZCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-2-10(12)4-3-8-5-9(11)7-13-6-8/h5-7,10H,2-4H2,1H3.
What are the key properties of 3-bromo-5-(3-chloropentyl)pyridine?
3-bromo-5-(3-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-5-(3-chloropentyl)pyridine is sourced from PubChem (CID 104810096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).