isocyanic acid;1,6-naphthyridine

C9H7N3O — CID 174611151

IUPACisocyanic acid;1,6-naphthyridine
SMILESN=C=O.c1cnc2ccncc2c1
InChIInChI=1S/C8H6N2.CHNO/c1-2-7-6-9-5-3-8(7)10-4-1;2-1-3/h1-6H;2H
InChIKeyMVDRYHWVESVYQR-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.53
Rot. Bonds

About isocyanic acid;1,6-naphthyridine

isocyanic acid;1,6-naphthyridine (PubChem CID 174611151) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is isocyanic acid;1,6-naphthyridine.

Molecular Properties

Compound Nameisocyanic acid;1,6-naphthyridine
PubChem CID174611151
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Nameisocyanic acid;1,6-naphthyridine
SMILESN=C=O.c1cnc2ccncc2c1
InChIInChI=1S/C8H6N2.CHNO/c1-2-7-6-9-5-3-8(7)10-4-1;2-1-3/h1-6H;2H
InChIKeyMVDRYHWVESVYQR-UHFFFAOYSA-N
XLogP1.53
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine
CID 67067545
ethane;1,7-naphthyridine;quinoline
CID 145375138
quinoline
CID 76974643
carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium)
CID 162119912
diazomethanone;quinoline
CID 87207818
ethane;6-methylisoquinoline;6-methylquinoline
CID 142912911
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
quinoline;silver
CID 88761492

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;1,6-naphthyridine?
The IUPAC name of isocyanic acid;1,6-naphthyridine (CID 174611151) is isocyanic acid;1,6-naphthyridine.
What is the SMILES notation for isocyanic acid;1,6-naphthyridine?
The canonical SMILES for isocyanic acid;1,6-naphthyridine is N=C=O.c1cnc2ccncc2c1.
What is the InChIKey of isocyanic acid;1,6-naphthyridine?
The InChIKey is MVDRYHWVESVYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.CHNO/c1-2-7-6-9-5-3-8(7)10-4-1;2-1-3/h1-6H;2H.
What are the key properties of isocyanic acid;1,6-naphthyridine?
isocyanic acid;1,6-naphthyridine has a molecular weight of 173.17 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;1,6-naphthyridine is sourced from PubChem (CID 174611151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).