3-(1,5-dichloropentyl)pyridine

C10H13Cl2N — CID 19894703

IUPAC3-(1,5-dichloropentyl)pyridine
SMILESClCCCCC(Cl)c1cccnc1
InChIInChI=1S/C10H13Cl2N/c11-6-2-1-5-10(12)9-4-3-7-13-8-9/h3-4,7-8,10H,1-2,5-6H2
InChIKeyFXMROTIKSUHNRR-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.77
Rot. Bonds5

About 3-(1,5-dichloropentyl)pyridine

3-(1,5-dichloropentyl)pyridine (PubChem CID 19894703) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 3-(1,5-dichloropentyl)pyridine.

Molecular Properties

Compound Name3-(1,5-dichloropentyl)pyridine
PubChem CID19894703
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name3-(1,5-dichloropentyl)pyridine
SMILESClCCCCC(Cl)c1cccnc1
InChIInChI=1S/C10H13Cl2N/c11-6-2-1-5-10(12)9-4-3-7-13-8-9/h3-4,7-8,10H,1-2,5-6H2
InChIKeyFXMROTIKSUHNRR-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[1-chloro-2-(4-chlorophenyl)ethyl]pyridine
CID 63016477
tert-butyl N-[(4S)-4-chloro-4-pyridin-3-ylbutyl]-N-methylcarbamate
CID 163661402
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
3-tridecan-7-ylpyridine
CID 129119745
3-decan-5-ylpyridine
CID 170375029
3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine
CID 63016855
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
3-(1-bromoheptyl)pyridine
CID 140580722
3-dodecan-5-ylpyridine
CID 71051175
(1S)-1-pyridin-3-ylpentane-1,5-diamine;hydrochloride
CID 171221036
tert-butyl N-[(4S)-4-chloro-4-pyridin-3-ylbutyl]-N-methylcarbamate;tert-butyl N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]-N-methylcarbamate
CID 165093627
3-(1-fluoroheptan-2-yl)pyridine
CID 150907283

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dichloropentyl)pyridine?
The IUPAC name of 3-(1,5-dichloropentyl)pyridine (CID 19894703) is 3-(1,5-dichloropentyl)pyridine.
What is the SMILES notation for 3-(1,5-dichloropentyl)pyridine?
The canonical SMILES for 3-(1,5-dichloropentyl)pyridine is ClCCCCC(Cl)c1cccnc1.
What is the InChIKey of 3-(1,5-dichloropentyl)pyridine?
The InChIKey is FXMROTIKSUHNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N/c11-6-2-1-5-10(12)9-4-3-7-13-8-9/h3-4,7-8,10H,1-2,5-6H2.
What are the key properties of 3-(1,5-dichloropentyl)pyridine?
3-(1,5-dichloropentyl)pyridine has a molecular weight of 218.13 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dichloropentyl)pyridine is sourced from PubChem (CID 19894703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).