2,6-Naphthyridin-1(2H)-one - CAS 80935-77-9
Catalog:
BB036586
Product Name:
2,6-Naphthyridin-1(2H)-one
CAS:
80935-77-9
Synonyms:
2,6-naphthyridin-1-ol
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BB036586
1 g
$599
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BB036586
5 g
$1699
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IUPAC Name: 2H-2,6-naphthyridin-1-one
Description: 2,6-Naphthyridin-1(2H)-one is a useful research chemical.
Molecular Weight: 146.15
Molecular Formula: C8H6N2O
Canonical SMILES: C1=CNC(=O)C2=C1C=NC=C2
InChI: InChI=1S/C8H6N2O/c11-8-7-2-3-9-5-6(7)1-4-10-8/h1-5H,(H,10,11)
InChI Key: XVHNGLQDZFUCKO-UHFFFAOYSA-N
Boiling Point: 425.594 °C at 760 mmHg
Density: 1.267 g/cm3
LogP: 0.92310
GHS Hazard Statement: H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement: P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Warning
Publication Number Title Priority Date
CN-111138355-A Preparation method of formaldehyde-substituted aza-condensed ring compound 20200117
CN-111909147-A DNA-PK inhibitors 20190510
CN-111909147-B DNA-PK inhibitors 20190510
WO-2020216378-A1 Heterocyclic compound, application thereof, and composition containing same 20190426
WO-2020160196-A1 Compounds and uses thereof 20190129
Complexity: 200
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 146.048012819
Formal Charge: 0
Heavy Atom Count: 11
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 146.048012819
Rotatable Bond Count: 0
Topological Polar Surface Area: 42 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.3
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