1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one

C12H11N3O4 — CID 170629549

IUPAC1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one
SMILESO=c1c(O)cc2cc([N+](=O)[O-])cnc2n1CC1CC1
InChIInChI=1S/C12H11N3O4/c16-10-4-8-3-9(15(18)19)5-13-11(8)14(12(10)17)6-7-1-2-7/h3-5,7,16H,1-2,6H2
InChIKeyHGFUSLBFQVVVOE-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.42
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one

1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one (PubChem CID 170629549) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one
PubChem CID170629549
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one
SMILESO=c1c(O)cc2cc([N+](=O)[O-])cnc2n1CC1CC1
InChIInChI=1S/C12H11N3O4/c16-10-4-8-3-9(15(18)19)5-13-11(8)14(12(10)17)6-7-1-2-7/h3-5,7,16H,1-2,6H2
InChIKeyHGFUSLBFQVVVOE-UHFFFAOYSA-N
XLogP1.42
TPSA98.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one
CID 170629377
1-(cyclopropylmethyl)-3-hydroxy-6-nitroquinolin-2-one
CID 142375006
1-(cyclohexylmethyl)-5-nitropyrrolo[2,3-b]pyridine
CID 90152555
1-ethyl-2-(4-fluorophenyl)-5-nitropyrrolo[2,3-b]pyridine
CID 67284498
2-(cyclopropylmethyl)-6-nitroindazole
CID 59225440
2-fluoro-5-nitropyridin-3-ol
CID 130057663
N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine
CID 22181365
N-[1,3-bis(cyclopropylmethyl)-7-methyl-2,6-dioxopurin-8-yl]-4-nitro-N-(4-nitrophenyl)sulfonylbenzenesulfonamide
CID 10394586
3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one
CID 162519808
1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine
CID 155280191
2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carbonitrile
CID 106825880
4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one
CID 15153036

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one (CID 170629549) is 1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one is O=c1c(O)cc2cc([N+](=O)[O-])cnc2n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one?
The InChIKey is HGFUSLBFQVVVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-10-4-8-3-9(15(18)19)5-13-11(8)14(12(10)17)6-7-1-2-7/h3-5,7,16H,1-2,6H2.
What are the key properties of 1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one?
1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one has a molecular weight of 261.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one is sourced from PubChem (CID 170629549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).