8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid

C10H11N3O3 — CID 175591684

IUPAC8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
SMILES[H]/N=C/c1ccc2c(n1)C(O)CN(C(=O)O)C2
InChIInChI=1S/C10H11N3O3/c11-3-7-2-1-6-4-13(10(15)16)5-8(14)9(6)12-7/h1-3,8,11,14H,4-5H2,(H,15,16)/b11-3+
InChIKeyWVSZTUVBJCQMPI-QDEBKDIKSA-N
MW221.22 g/mol
LogP0.61
Rot. Bonds1

About 8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid

8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid (PubChem CID 175591684) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
PubChem CID175591684
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
SMILES[H]/N=C/c1ccc2c(n1)C(O)CN(C(=O)O)C2
InChIInChI=1S/C10H11N3O3/c11-3-7-2-1-6-4-13(10(15)16)5-8(14)9(6)12-7/h1-3,8,11,14H,4-5H2,(H,15,16)/b11-3+
InChIKeyWVSZTUVBJCQMPI-QDEBKDIKSA-N
XLogP0.61
TPSA97.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 129284910
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CID 175205498
(2R)-2-ethyl-3,5-dihydro-2H-benzo[i][1,4]benzoxazepine-4-carboxylic acid
CID 155346046
1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
CID 70298900
4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 143581340
(2S)-2-fluoro-3,5-dihydro-2H-1,4-benzothiazepine-4,8-dicarboxylic acid
CID 170333987
2,2,2-trifluoro-1-(7-methanimidoyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 58277854
5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroisoindole-2-carboxylic acid
CID 91410009
1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid
CID 174655862
5-(2,2-difluoroethenyl)-1,3-dihydroisoindole-2-carboxylic acid
CID 141148714
2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 66885650
5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid
CID 174890707

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The IUPAC name of 8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid (CID 175591684) is 8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid.
What is the SMILES notation for 8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The canonical SMILES for 8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid is [H]/N=C/c1ccc2c(n1)C(O)CN(C(=O)O)C2.
What is the InChIKey of 8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The InChIKey is WVSZTUVBJCQMPI-QDEBKDIKSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-3-7-2-1-6-4-13(10(15)16)5-8(14)9(6)12-7/h1-3,8,11,14H,4-5H2,(H,15,16)/b11-3+.
What are the key properties of 8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-methanimidoyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid is sourced from PubChem (CID 175591684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).