5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride

C9H12Cl2N2O2 — CID 146155251

IUPAC5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1nccc2c1CCNC2
InChIInChI=1S/C9H10N2O2.2ClH/c12-9(13)8-7-2-3-10-5-6(7)1-4-11-8;;/h1,4,10H,2-3,5H2,(H,12,13);2*1H
InChIKeyNFMLVUSJYNWYQJ-UHFFFAOYSA-N
MW251.11 g/mol
LogP1.27
Rot. Bonds1

About 5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride

5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride (PubChem CID 146155251) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride
PubChem CID146155251
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1nccc2c1CCNC2
InChIInChI=1S/C9H10N2O2.2ClH/c12-9(13)8-7-2-3-10-5-6(7)1-4-11-8;;/h1,4,10H,2-3,5H2,(H,12,13);2*1H
InChIKeyNFMLVUSJYNWYQJ-UHFFFAOYSA-N
XLogP1.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride (CID 146155251) is 5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1nccc2c1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride?
The InChIKey is NFMLVUSJYNWYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2.2ClH/c12-9(13)8-7-2-3-10-5-6(7)1-4-11-8;;/h1,4,10H,2-3,5H2,(H,12,13);2*1H.
What are the key properties of 5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride?
5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride has a molecular weight of 251.11 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride is sourced from PubChem (CID 146155251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).