2-chloro-4-(3-phenylpropyl)pyridine

C14H14ClN — CID 132575945

IUPAC2-chloro-4-(3-phenylpropyl)pyridine
SMILESClc1cc(CCCc2ccccc2)ccn1
InChIInChI=1S/C14H14ClN/c15-14-11-13(9-10-16-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2
InChIKeyLJOUSDJIFCZFOT-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.91
Rot. Bonds4

About 2-chloro-4-(3-phenylpropyl)pyridine

2-chloro-4-(3-phenylpropyl)pyridine (PubChem CID 132575945) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 2-chloro-4-(3-phenylpropyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(3-phenylpropyl)pyridine
PubChem CID132575945
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name2-chloro-4-(3-phenylpropyl)pyridine
SMILESClc1cc(CCCc2ccccc2)ccn1
InChIInChI=1S/C14H14ClN/c15-14-11-13(9-10-16-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2
InChIKeyLJOUSDJIFCZFOT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(2-phenylethoxymethyl)pyridine
CID 114999592
2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine
CID 174541766
2-chloro-4-pentadecylpyridine
CID 174517606
2-chloro-4-hexadecylpyridine
CID 170566187
2-chloro-4-(chloromethyl)pyridine
CID 11126573
4-[3-(3-chlorophenyl)propyl]pyridine
CID 19783328
2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide
CID 61053398
2-chloro-4-(fluoromethyl)pyridine
CID 105428891
(2-chloro-4-pyridinyl)methanol
CID 7062237
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-phenylpropyl)pyridine?
The IUPAC name of 2-chloro-4-(3-phenylpropyl)pyridine (CID 132575945) is 2-chloro-4-(3-phenylpropyl)pyridine.
What is the SMILES notation for 2-chloro-4-(3-phenylpropyl)pyridine?
The canonical SMILES for 2-chloro-4-(3-phenylpropyl)pyridine is Clc1cc(CCCc2ccccc2)ccn1.
What is the InChIKey of 2-chloro-4-(3-phenylpropyl)pyridine?
The InChIKey is LJOUSDJIFCZFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c15-14-11-13(9-10-16-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2.
What are the key properties of 2-chloro-4-(3-phenylpropyl)pyridine?
2-chloro-4-(3-phenylpropyl)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 2-chloro-4-(3-phenylpropyl)pyridine is sourced from PubChem (CID 132575945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).