4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine

C14H14ClNO — CID 63016470

IUPAC4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
SMILESCOc1ccc(CC(Cl)c2ccncc2)cc1
InChIInChI=1S/C14H14ClNO/c1-17-13-4-2-11(3-5-13)10-14(15)12-6-8-16-9-7-12/h2-9,14H,10H2,1H3
InChIKeyPXHUVMUCPMLOKK-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.61
Rot. Bonds4

About 4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine

4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine (PubChem CID 63016470) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
PubChem CID63016470
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
SMILESCOc1ccc(CC(Cl)c2ccncc2)cc1
InChIInChI=1S/C14H14ClNO/c1-17-13-4-2-11(3-5-13)10-14(15)12-6-8-16-9-7-12/h2-9,14H,10H2,1H3
InChIKeyPXHUVMUCPMLOKK-UHFFFAOYSA-N
XLogP3.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-chloro-2-(4-methylphenyl)ethyl]pyridine
CID 63016107
1-butyl-4-[1-chloro-2-(4-methoxyphenyl)ethyl]benzene
CID 63431732
4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63427622
2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene
CID 63520416
4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine
CID 66459574
1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 55149546
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxybenzene
CID 63520593
5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran
CID 63021484
1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171
2-[2-chloro-2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 61086262
2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene
CID 55149547

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine?
The IUPAC name of 4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine (CID 63016470) is 4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine.
What is the SMILES notation for 4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine?
The canonical SMILES for 4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine is COc1ccc(CC(Cl)c2ccncc2)cc1.
What is the InChIKey of 4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine?
The InChIKey is PXHUVMUCPMLOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-17-13-4-2-11(3-5-13)10-14(15)12-6-8-16-9-7-12/h2-9,14H,10H2,1H3.
What are the key properties of 4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine?
4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine has a molecular weight of 247.73 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine is sourced from PubChem (CID 63016470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).