1-chloro-1,8-naphthyridin-2-one

C8H5ClN2O — CID 154368261

IUPAC1-chloro-1,8-naphthyridin-2-one
SMILESO=c1ccc2cccnc2n1Cl
InChIInChI=1S/C8H5ClN2O/c9-11-7(12)4-3-6-2-1-5-10-8(6)11/h1-5H
InChIKeyBNCCFSHGLBHIIT-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.40
Rot. Bonds

About 1-chloro-1,8-naphthyridin-2-one

1-chloro-1,8-naphthyridin-2-one (PubChem CID 154368261) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 1-chloro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-chloro-1,8-naphthyridin-2-one
PubChem CID154368261
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name1-chloro-1,8-naphthyridin-2-one
SMILESO=c1ccc2cccnc2n1Cl
InChIInChI=1S/C8H5ClN2O/c9-11-7(12)4-3-6-2-1-5-10-8(6)11/h1-5H
InChIKeyBNCCFSHGLBHIIT-UHFFFAOYSA-N
XLogP1.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hydroxymethylamino)-1,8-naphthyridin-2-one
CID 139622666
1-(1-hydroxyethylamino)-1,8-naphthyridin-2-one
CID 139622714
1-pyridin-3-yloxy-1,8-naphthyridin-2-one
CID 130302527
1-(3-methylbutylamino)-1,8-naphthyridin-2-one
CID 139622712
1-[(5-phenylthiophen-2-yl)methyl]-1,8-naphthyridin-2-one
CID 90980646
1-chloropyrido[2,3-b]pyrazin-2-one
CID 137463925
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110626
1-(dimethylamino)-1,8-naphthyridine-2-thione
CID 139622625
methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium
CID 11454092
1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
1-methylpyrrolo[2,3-b]pyridine;propane
CID 144881648

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,8-naphthyridin-2-one?
The IUPAC name of 1-chloro-1,8-naphthyridin-2-one (CID 154368261) is 1-chloro-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-chloro-1,8-naphthyridin-2-one?
The canonical SMILES for 1-chloro-1,8-naphthyridin-2-one is O=c1ccc2cccnc2n1Cl.
What is the InChIKey of 1-chloro-1,8-naphthyridin-2-one?
The InChIKey is BNCCFSHGLBHIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-11-7(12)4-3-6-2-1-5-10-8(6)11/h1-5H.
What are the key properties of 1-chloro-1,8-naphthyridin-2-one?
1-chloro-1,8-naphthyridin-2-one has a molecular weight of 180.59 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,8-naphthyridin-2-one is sourced from PubChem (CID 154368261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).