4-[chloro-(4-ethylphenyl)methyl]pyridine

C14H14ClN — CID 114996829

IUPAC4-[chloro-(4-ethylphenyl)methyl]pyridine
SMILESCCc1ccc(C(Cl)c2ccncc2)cc1
InChIInChI=1S/C14H14ClN/c1-2-11-3-5-12(6-4-11)14(15)13-7-9-16-10-8-13/h3-10,14H,2H2,1H3
InChIKeyJKCNQODICKECIU-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.97
Rot. Bonds3

About 4-[chloro-(4-ethylphenyl)methyl]pyridine

4-[chloro-(4-ethylphenyl)methyl]pyridine (PubChem CID 114996829) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 4-[chloro-(4-ethylphenyl)methyl]pyridine.

Molecular Properties

Compound Name4-[chloro-(4-ethylphenyl)methyl]pyridine
PubChem CID114996829
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name4-[chloro-(4-ethylphenyl)methyl]pyridine
SMILESCCc1ccc(C(Cl)c2ccncc2)cc1
InChIInChI=1S/C14H14ClN/c1-2-11-3-5-12(6-4-11)14(15)13-7-9-16-10-8-13/h3-10,14H,2H2,1H3
InChIKeyJKCNQODICKECIU-UHFFFAOYSA-N
XLogP3.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.97
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-(4-ethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 43484668
ethane;4-ethylpyridine
CID 142005045
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene
CID 66259588
4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine
CID 66454835
[chloro-(4-ethylphenyl)methyl]-trimethylsilane
CID 171781017
4-ethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43195541
chloro-(4-ethylphenyl)methanamine
CID 116947710
2-bromo-4-[chloro-(4-ethylphenyl)methyl]thiophene
CID 107964496
1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene
CID 63431626
ethane;4-ethylpyridine;methanol
CID 143096814
ethanol;4-ethylpyridine
CID 174816615

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(4-ethylphenyl)methyl]pyridine?
The IUPAC name of 4-[chloro-(4-ethylphenyl)methyl]pyridine (CID 114996829) is 4-[chloro-(4-ethylphenyl)methyl]pyridine.
What is the SMILES notation for 4-[chloro-(4-ethylphenyl)methyl]pyridine?
The canonical SMILES for 4-[chloro-(4-ethylphenyl)methyl]pyridine is CCc1ccc(C(Cl)c2ccncc2)cc1.
What is the InChIKey of 4-[chloro-(4-ethylphenyl)methyl]pyridine?
The InChIKey is JKCNQODICKECIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-2-11-3-5-12(6-4-11)14(15)13-7-9-16-10-8-13/h3-10,14H,2H2,1H3.
What are the key properties of 4-[chloro-(4-ethylphenyl)methyl]pyridine?
4-[chloro-(4-ethylphenyl)methyl]pyridine has a molecular weight of 231.73 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(4-ethylphenyl)methyl]pyridine is sourced from PubChem (CID 114996829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).