3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid

C10H10N2O4 — CID 155143574

IUPAC3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid
SMILESO=C(O)c1cc2c(cn1)CCN(C(=O)O)C2
InChIInChI=1S/C10H10N2O4/c13-9(14)8-3-7-5-12(10(15)16)2-1-6(7)4-11-8/h3-4H,1-2,5H2,(H,13,14)(H,15,16)
InChIKeyNJFWKBBHUXHUKS-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.82
Rot. Bonds1

About 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid

3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid (PubChem CID 155143574) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid.

Molecular Properties

Compound Name3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid
PubChem CID155143574
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid
SMILESO=C(O)c1cc2c(cn1)CCN(C(=O)O)C2
InChIInChI=1S/C10H10N2O4/c13-9(14)8-3-7-5-12(10(15)16)2-1-6(7)4-11-8/h3-4H,1-2,5H2,(H,13,14)(H,15,16)
InChIKeyNJFWKBBHUXHUKS-UHFFFAOYSA-N
XLogP0.82
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid
CID 175467955
6-amino-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid
CID 70299304
7-(methoxymethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid
CID 146273702
2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid
CID 68725346
1-methyl-2,3-dihydropyrrolo[3,2-c]pyridine-6-carboxylic acid
CID 84656375
2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 83835396
3-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylic acid
CID 175443625
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylic acid
CID 69401533
6-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 118007702
7-(iodomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 68876412
7-[[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid
CID 155143548

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid?
The IUPAC name of 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid (CID 155143574) is 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid.
What is the SMILES notation for 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid?
The canonical SMILES for 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid is O=C(O)c1cc2c(cn1)CCN(C(=O)O)C2.
What is the InChIKey of 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid?
The InChIKey is NJFWKBBHUXHUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-9(14)8-3-7-5-12(10(15)16)2-1-6(7)4-11-8/h3-4H,1-2,5H2,(H,13,14)(H,15,16).
What are the key properties of 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid?
3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid is sourced from PubChem (CID 155143574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).