7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one

C9H7N3O4 — CID 156713395

IUPAC7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one
SMILESCOc1ccc2c(=O)c([N+](=O)[O-])c[nH]c2n1
InChIInChI=1S/C9H7N3O4/c1-16-7-3-2-5-8(13)6(12(14)15)4-10-9(5)11-7/h2-4H,1H3,(H,10,11,13)
InChIKeyLWQCPHVEAVLIGX-UHFFFAOYSA-N
MW221.17 g/mol
LogP0.84
Rot. Bonds2

About 7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one

7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one (PubChem CID 156713395) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is 7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one
PubChem CID156713395
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one
SMILESCOc1ccc2c(=O)c([N+](=O)[O-])c[nH]c2n1
InChIInChI=1S/C9H7N3O4/c1-16-7-3-2-5-8(13)6(12(14)15)4-10-9(5)11-7/h2-4H,1H3,(H,10,11,13)
InChIKeyLWQCPHVEAVLIGX-UHFFFAOYSA-N
XLogP0.84
TPSA98.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one
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methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate
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6-methoxy-3-nitro-2-propan-2-ylpyridine
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2-(difluoromethoxy)-6-methoxy-3-nitropyridine
CID 153376192
2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 84663300
3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one
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CID 174432384

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one (CID 156713395) is 7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one is COc1ccc2c(=O)c([N+](=O)[O-])c[nH]c2n1.
What is the InChIKey of 7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one?
The InChIKey is LWQCPHVEAVLIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c1-16-7-3-2-5-8(13)6(12(14)15)4-10-9(5)11-7/h2-4H,1H3,(H,10,11,13).
What are the key properties of 7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one?
7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one has a molecular weight of 221.17 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 156713395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).