6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile

C9H4ClN3O — CID 56773850

IUPAC6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cc(Cl)cnc2[nH]c1=O
InChIInChI=1S/C9H4ClN3O/c10-7-2-5-1-6(3-11)9(14)13-8(5)12-4-7/h1-2,4H,(H,12,13,14)
InChIKeyQVGFIQQYPNCDQN-UHFFFAOYSA-N
MW205.60 g/mol
LogP1.45
Rot. Bonds

About 6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile

6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile (PubChem CID 56773850) has the molecular formula C9H4ClN3O and a molecular weight of 205.60 g/mol. Its IUPAC name is 6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile
PubChem CID56773850
Molecular FormulaC9H4ClN3O
Molecular Weight205.60 g/mol
Exact Mass205.00
IUPAC Name6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cc(Cl)cnc2[nH]c1=O
InChIInChI=1S/C9H4ClN3O/c10-7-2-5-1-6(3-11)9(14)13-8(5)12-4-7/h1-2,4H,(H,12,13,14)
InChIKeyQVGFIQQYPNCDQN-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile (CID 56773850) is 6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile is N#Cc1cc2cc(Cl)cnc2[nH]c1=O.
What is the InChIKey of 6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile?
The InChIKey is QVGFIQQYPNCDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN3O/c10-7-2-5-1-6(3-11)9(14)13-8(5)12-4-7/h1-2,4H,(H,12,13,14).
What are the key properties of 6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile?
6-chloro-2-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 6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56773850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).