4-[3-(3-chlorophenyl)propyl]pyridine

C14H14ClN — CID 19783328

IUPAC4-[3-(3-chlorophenyl)propyl]pyridine
SMILESClc1cccc(CCCc2ccncc2)c1
InChIInChI=1S/C14H14ClN/c15-14-6-2-5-13(11-14)4-1-3-12-7-9-16-10-8-12/h2,5-11H,1,3-4H2
InChIKeyPPQSWLSDDPXKFW-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.91
Rot. Bonds4

About 4-[3-(3-chlorophenyl)propyl]pyridine

4-[3-(3-chlorophenyl)propyl]pyridine (PubChem CID 19783328) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)propyl]pyridine.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)propyl]pyridine
PubChem CID19783328
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name4-[3-(3-chlorophenyl)propyl]pyridine
SMILESClc1cccc(CCCc2ccncc2)c1
InChIInChI=1S/C14H14ClN/c15-14-6-2-5-13(11-14)4-1-3-12-7-9-16-10-8-12/h2,5-11H,1,3-4H2
InChIKeyPPQSWLSDDPXKFW-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-(3-fluoropropyl)benzene
CID 54201496
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802
1-chloro-3-octylbenzene
CID 11458768
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
3-[2-(3-chlorophenyl)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 108989264
2-chloro-4-(3-phenylpropyl)pyridine
CID 132575945
4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide
CID 174146036
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine
CID 143812706
1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 43694798

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)propyl]pyridine?
The IUPAC name of 4-[3-(3-chlorophenyl)propyl]pyridine (CID 19783328) is 4-[3-(3-chlorophenyl)propyl]pyridine.
What is the SMILES notation for 4-[3-(3-chlorophenyl)propyl]pyridine?
The canonical SMILES for 4-[3-(3-chlorophenyl)propyl]pyridine is Clc1cccc(CCCc2ccncc2)c1.
What is the InChIKey of 4-[3-(3-chlorophenyl)propyl]pyridine?
The InChIKey is PPQSWLSDDPXKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c15-14-6-2-5-13(11-14)4-1-3-12-7-9-16-10-8-12/h2,5-11H,1,3-4H2.
What are the key properties of 4-[3-(3-chlorophenyl)propyl]pyridine?
4-[3-(3-chlorophenyl)propyl]pyridine has a molecular weight of 231.73 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)propyl]pyridine is sourced from PubChem (CID 19783328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).