7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile

C9H4ClN3O — CID 146013293

IUPAC7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nc(Cl)ccc2c1=O
InChIInChI=1S/C9H4ClN3O/c10-7-2-1-6-8(14)5(3-11)4-12-9(6)13-7/h1-2,4H,(H,12,13,14)
InChIKeyVFURFQRHSDWPNJ-UHFFFAOYSA-N
MW205.60 g/mol
LogP1.45
Rot. Bonds

About 7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile

7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile (PubChem CID 146013293) has the molecular formula C9H4ClN3O and a molecular weight of 205.60 g/mol. Its IUPAC name is 7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile
PubChem CID146013293
Molecular FormulaC9H4ClN3O
Molecular Weight205.60 g/mol
Exact Mass205.00
IUPAC Name7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nc(Cl)ccc2c1=O
InChIInChI=1S/C9H4ClN3O/c10-7-2-1-6-8(14)5(3-11)4-12-9(6)13-7/h1-2,4H,(H,12,13,14)
InChIKeyVFURFQRHSDWPNJ-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

6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 131849320
4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 24695119
6-chloro-N-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 135191770
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71721068
6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 133095528
7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide
CID 21434996
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate
CID 174446566
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carbonitrile
CID 24707150
8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 107606970
8-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 28978423
ethane;methanethiol;7-methyl-4-oxo-1H-quinoline-3-carbonitrile
CID 143097394
7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile
CID 118010177

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile (CID 146013293) is 7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile is N#Cc1c[nH]c2nc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile?
The InChIKey is VFURFQRHSDWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN3O/c10-7-2-1-6-8(14)5(3-11)4-12-9(6)13-7/h1-2,4H,(H,12,13,14).
What are the key properties of 7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile?
7-chloro-4-oxo-1H-1,8-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 7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 146013293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).