4-(3-chloro-4-cyclopropyloxyphenyl)pyridine

C14H12ClNO — CID 71282606

IUPAC4-(3-chloro-4-cyclopropyloxyphenyl)pyridine
SMILESClc1cc(-c2ccncc2)ccc1OC1CC1
InChIInChI=1S/C14H12ClNO/c15-13-9-11(10-5-7-16-8-6-10)1-4-14(13)17-12-2-3-12/h1,4-9,12H,2-3H2
InChIKeyDFPAGYMHASZSRY-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.94
Rot. Bonds3

About 4-(3-chloro-4-cyclopropyloxyphenyl)pyridine

4-(3-chloro-4-cyclopropyloxyphenyl)pyridine (PubChem CID 71282606) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-(3-chloro-4-cyclopropyloxyphenyl)pyridine.

Molecular Properties

Compound Name4-(3-chloro-4-cyclopropyloxyphenyl)pyridine
PubChem CID71282606
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name4-(3-chloro-4-cyclopropyloxyphenyl)pyridine
SMILESClc1cc(-c2ccncc2)ccc1OC1CC1
InChIInChI=1S/C14H12ClNO/c15-13-9-11(10-5-7-16-8-6-10)1-4-14(13)17-12-2-3-12/h1,4-9,12H,2-3H2
InChIKeyDFPAGYMHASZSRY-UHFFFAOYSA-N
XLogP3.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-cyclopropyloxyphenyl)pyridine?
The IUPAC name of 4-(3-chloro-4-cyclopropyloxyphenyl)pyridine (CID 71282606) is 4-(3-chloro-4-cyclopropyloxyphenyl)pyridine.
What is the SMILES notation for 4-(3-chloro-4-cyclopropyloxyphenyl)pyridine?
The canonical SMILES for 4-(3-chloro-4-cyclopropyloxyphenyl)pyridine is Clc1cc(-c2ccncc2)ccc1OC1CC1.
What is the InChIKey of 4-(3-chloro-4-cyclopropyloxyphenyl)pyridine?
The InChIKey is DFPAGYMHASZSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-13-9-11(10-5-7-16-8-6-10)1-4-14(13)17-12-2-3-12/h1,4-9,12H,2-3H2.
What are the key properties of 4-(3-chloro-4-cyclopropyloxyphenyl)pyridine?
4-(3-chloro-4-cyclopropyloxyphenyl)pyridine has a molecular weight of 245.71 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-cyclopropyloxyphenyl)pyridine is sourced from PubChem (CID 71282606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).