1,5-naphthyridine-3-carbaldehyde;hydrochloride

C9H7ClN2O — CID 174817233

IUPAC1,5-naphthyridine-3-carbaldehyde;hydrochloride
SMILESCl.O=Cc1cnc2cccnc2c1
InChIInChI=1S/C9H6N2O.ClH/c12-6-7-4-9-8(11-5-7)2-1-3-10-9;/h1-6H;1H
InChIKeyBWXBBNBCCKSYSG-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.86
Rot. Bonds1

About 1,5-naphthyridine-3-carbaldehyde;hydrochloride

1,5-naphthyridine-3-carbaldehyde;hydrochloride (PubChem CID 174817233) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 1,5-naphthyridine-3-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name1,5-naphthyridine-3-carbaldehyde;hydrochloride
PubChem CID174817233
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name1,5-naphthyridine-3-carbaldehyde;hydrochloride
SMILESCl.O=Cc1cnc2cccnc2c1
InChIInChI=1S/C9H6N2O.ClH/c12-6-7-4-9-8(11-5-7)2-1-3-10-9;/h1-6H;1H
InChIKeyBWXBBNBCCKSYSG-UHFFFAOYSA-N
XLogP1.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-naphthyridine-3-carbaldehyde;hydrochloride?
The IUPAC name of 1,5-naphthyridine-3-carbaldehyde;hydrochloride (CID 174817233) is 1,5-naphthyridine-3-carbaldehyde;hydrochloride.
What is the SMILES notation for 1,5-naphthyridine-3-carbaldehyde;hydrochloride?
The canonical SMILES for 1,5-naphthyridine-3-carbaldehyde;hydrochloride is Cl.O=Cc1cnc2cccnc2c1.
What is the InChIKey of 1,5-naphthyridine-3-carbaldehyde;hydrochloride?
The InChIKey is BWXBBNBCCKSYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O.ClH/c12-6-7-4-9-8(11-5-7)2-1-3-10-9;/h1-6H;1H.
What are the key properties of 1,5-naphthyridine-3-carbaldehyde;hydrochloride?
1,5-naphthyridine-3-carbaldehyde;hydrochloride has a molecular weight of 194.62 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-naphthyridine-3-carbaldehyde;hydrochloride is sourced from PubChem (CID 174817233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).