1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid

C9H10N2O2 — CID 82410142

IUPAC1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid
SMILESO=C(O)C1NCCc2cnccc21
InChIInChI=1S/C9H10N2O2/c12-9(13)8-7-2-3-10-5-6(7)1-4-11-8/h2-3,5,8,11H,1,4H2,(H,12,13)
InChIKeyWQLWLJIAJUXHSM-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.35
Rot. Bonds1

About 1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid

1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid (PubChem CID 82410142) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid.

Molecular Properties

Compound Name1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid
PubChem CID82410142
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid
SMILESO=C(O)C1NCCc2cnccc21
InChIInChI=1S/C9H10N2O2/c12-9(13)8-7-2-3-10-5-6(7)1-4-11-8/h2-3,5,8,11H,1,4H2,(H,12,13)
InChIKeyWQLWLJIAJUXHSM-UHFFFAOYSA-N
XLogP0.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
(1R)-6-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130673633
6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
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8-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid
CID 82402785
(1S)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
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(1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130609338
(1R)-7-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 86330126
2,3,4,5-tetrahydro-1H-2-benzazepine-1-carboxylic acid
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1,2,3,4-tetrahydropyrido[3,4-d]pyridazine-1-carboxamide
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(5R)-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
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6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
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6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 58852290

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid?
The IUPAC name of 1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid (CID 82410142) is 1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid.
What is the SMILES notation for 1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid?
The canonical SMILES for 1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid is O=C(O)C1NCCc2cnccc21.
What is the InChIKey of 1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid?
The InChIKey is WQLWLJIAJUXHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-9(13)8-7-2-3-10-5-6(7)1-4-11-8/h2-3,5,8,11H,1,4H2,(H,12,13).
What are the key properties of 1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid?
1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 82410142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).