3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine

C12H14ClNO — CID 130565735

IUPAC3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine
SMILESCOc1ccncc1C1=CC(Cl)CCC1
InChIInChI=1S/C12H14ClNO/c1-15-12-5-6-14-8-11(12)9-3-2-4-10(13)7-9/h5-8,10H,2-4H2,1H3
InChIKeyCQMXHJOXESRCQX-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.26
Rot. Bonds2

About 3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine

3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine (PubChem CID 130565735) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine.

Molecular Properties

Compound Name3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine
PubChem CID130565735
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine
SMILESCOc1ccncc1C1=CC(Cl)CCC1
InChIInChI=1S/C12H14ClNO/c1-15-12-5-6-14-8-11(12)9-3-2-4-10(13)7-9/h5-8,10H,2-4H2,1H3
InChIKeyCQMXHJOXESRCQX-UHFFFAOYSA-N
XLogP3.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine?
The IUPAC name of 3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine (CID 130565735) is 3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine.
What is the SMILES notation for 3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine?
The canonical SMILES for 3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine is COc1ccncc1C1=CC(Cl)CCC1.
What is the InChIKey of 3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine?
The InChIKey is CQMXHJOXESRCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-15-12-5-6-14-8-11(12)9-3-2-4-10(13)7-9/h5-8,10H,2-4H2,1H3.
What are the key properties of 3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine?
3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine has a molecular weight of 223.70 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine is sourced from PubChem (CID 130565735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).