6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile

C9H4ClN3O — CID 131849320

IUPAC6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2ccc(Cl)nc2c1=O
InChIInChI=1S/C9H4ClN3O/c10-7-2-1-6-8(13-7)9(14)5(3-11)4-12-6/h1-2,4H,(H,12,14)
InChIKeyVORDFYRYACCBLE-UHFFFAOYSA-N
MW205.60 g/mol
LogP1.45
Rot. Bonds

About 6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile

6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 131849320) has the molecular formula C9H4ClN3O and a molecular weight of 205.60 g/mol. Its IUPAC name is 6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID131849320
Molecular FormulaC9H4ClN3O
Molecular Weight205.60 g/mol
Exact Mass205.00
IUPAC Name6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2ccc(Cl)nc2c1=O
InChIInChI=1S/C9H4ClN3O/c10-7-2-1-6-8(13-7)9(14)5(3-11)4-12-6/h1-2,4H,(H,12,14)
InChIKeyVORDFYRYACCBLE-UHFFFAOYSA-N
XLogP1.45
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.60
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile
CID 146013293
6-chloro-7-fluoro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 170903916
6-chloro-3-nitroso-1H-1,5-naphthyridin-4-one
CID 87160749
2-[(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)amino]-1H-benzimidazole-4-carbonitrile
CID 167428543
6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 22953004
tert-butyl 3-(7-cyano-8-oxo-5H-1,5-naphthyridin-2-yl)-2,5-dihydropyrrole-1-carboxylate
CID 175619017
(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate
CID 175391111
4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 24695119
7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile
CID 118010177
2-chloro-6-fluoroquinoline-8-carbonitrile
CID 154728078
5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 22953001
8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 107606970

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 131849320) is 6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile is N#Cc1c[nH]c2ccc(Cl)nc2c1=O.
What is the InChIKey of 6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is VORDFYRYACCBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN3O/c10-7-2-1-6-8(13-7)9(14)5(3-11)4-12-6/h1-2,4H,(H,12,14).
What are the key properties of 6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile?
6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 205.60 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 131849320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).