(4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone

C15H9ClN2O — CID 19828006

IUPAC(4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc2cnccc2c1Cl
InChIInChI=1S/C15H9ClN2O/c16-14-11-6-7-17-9-13(11)18-8-12(14)15(19)10-4-2-1-3-5-10/h1-9H
InChIKeyNPLNWHDJJKGOTF-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.51
Rot. Bonds2

About (4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone

(4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone (PubChem CID 19828006) has the molecular formula C15H9ClN2O and a molecular weight of 268.70 g/mol. Its IUPAC name is (4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone
PubChem CID19828006
Molecular FormulaC15H9ClN2O
Molecular Weight268.70 g/mol
Exact Mass268.04
IUPAC Name(4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc2cnccc2c1Cl
InChIInChI=1S/C15H9ClN2O/c16-14-11-6-7-17-9-13(11)18-8-12(14)15(19)10-4-2-1-3-5-10/h1-9H
InChIKeyNPLNWHDJJKGOTF-UHFFFAOYSA-N
XLogP3.51
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone?
The IUPAC name of (4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone (CID 19828006) is (4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone.
What is the SMILES notation for (4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone?
The canonical SMILES for (4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone is O=C(c1ccccc1)c1cnc2cnccc2c1Cl.
What is the InChIKey of (4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone?
The InChIKey is NPLNWHDJJKGOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O/c16-14-11-6-7-17-9-13(11)18-8-12(14)15(19)10-4-2-1-3-5-10/h1-9H.
What are the key properties of (4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone?
(4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone has a molecular weight of 268.70 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,7-naphthyridin-3-yl)-phenylmethanone is sourced from PubChem (CID 19828006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).