3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one

C14H13ClN2O — CID 146590885

IUPAC3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one
SMILESO=C(CCNc1ccccc1Cl)c1cccnc1
InChIInChI=1S/C14H13ClN2O/c15-12-5-1-2-6-13(12)17-9-7-14(18)11-4-3-8-16-10-11/h1-6,8,10,17H,7,9H2
InChIKeyABEWOSZGQGHOLG-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.42
Rot. Bonds5

About 3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one

3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one (PubChem CID 146590885) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one
PubChem CID146590885
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one
SMILESO=C(CCNc1ccccc1Cl)c1cccnc1
InChIInChI=1S/C14H13ClN2O/c15-12-5-1-2-6-13(12)17-9-7-14(18)11-4-3-8-16-10-11/h1-6,8,10,17H,7,9H2
InChIKeyABEWOSZGQGHOLG-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one?
The IUPAC name of 3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one (CID 146590885) is 3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one?
The canonical SMILES for 3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one is O=C(CCNc1ccccc1Cl)c1cccnc1.
What is the InChIKey of 3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one?
The InChIKey is ABEWOSZGQGHOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-12-5-1-2-6-13(12)17-9-7-14(18)11-4-3-8-16-10-11/h1-6,8,10,17H,7,9H2.
What are the key properties of 3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one?
3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one has a molecular weight of 260.72 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 146590885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).