[4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone

C16H14ClNO — CID 166274987

IUPAC[4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone
SMILESO=C(c1ccc(-c2ccncc2Cl)cc1)C1CCC1
InChIInChI=1S/C16H14ClNO/c17-15-10-18-9-8-14(15)11-4-6-13(7-5-11)16(19)12-2-1-3-12/h4-10,12H,1-3H2
InChIKeyCGQHYVRNRAWZKZ-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.38
Rot. Bonds3

About [4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone

[4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone (PubChem CID 166274987) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is [4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone
PubChem CID166274987
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name[4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone
SMILESO=C(c1ccc(-c2ccncc2Cl)cc1)C1CCC1
InChIInChI=1S/C16H14ClNO/c17-15-10-18-9-8-14(15)11-4-6-13(7-5-11)16(19)12-2-1-3-12/h4-10,12H,1-3H2
InChIKeyCGQHYVRNRAWZKZ-UHFFFAOYSA-N
XLogP4.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.38
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-pyridinyl)phenyl]-cyclobutylmethanone?
The IUPAC name of [4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone (CID 166274987) is [4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone.
What is the SMILES notation for [4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone?
The canonical SMILES for [4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone is O=C(c1ccc(-c2ccncc2Cl)cc1)C1CCC1.
What is the InChIKey of [4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone?
The InChIKey is CGQHYVRNRAWZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-15-10-18-9-8-14(15)11-4-6-13(7-5-11)16(19)12-2-1-3-12/h4-10,12H,1-3H2.
What are the key properties of [4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone?
[4-(3-chloro-4-pyridinyl)phenyl]-cyclobutylmethanone has a molecular weight of 271.75 g/mol, XLogP of 4.38, 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-pyridinyl)phenyl]-cyclobutylmethanone is sourced from PubChem (CID 166274987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).