7,8-dihydro-1,7-naphthyridin-8-one - CAS 67967-11-7

Catalog:	BB033449
Product Name:	7,8-dihydro-1,7-naphthyridin-8-one
CAS:	67967-11-7
Synonyms:	7H-1,7-naphthyridin-8-one; 7H-1,7-naphthyridin-8-one

Technical Data

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Computed Properties

IUPAC Name:	7H-1,7-naphthyridin-8-one
Description:	7,8-dihydro-1,7-naphthyridin-8-one (CAS# 67967-11-7) is a useful research chemical.
Molecular Weight:	146.149
Molecular Formula:	C8H6N2O
Canonical SMILES:	C1=CC2=C(C(=O)NC=C2)N=C1
InChI:	InChI=1S/C8H6N2O/c11-8-7-6(3-5-10-8)2-1-4-9-7/h1-5H,(H,10,11)
InChI Key:	VTUQISVBYRDYAW-UHFFFAOYSA-N
Boiling Point:	425.594 °C at 760 mmHg
Density:	1.267 g/cm³
LogP:	1.33540

Publication Number	Title	Priority Date
WO-2020160151-A1	15-pgdh inhibitors	20190131
CN-111410678-A	Steroid compound, use and preparation method thereof	20190108
WO-2020143640-A1	Steroid compound, and use thereof and preparation method therefor	20190108
KR-20210113209-A	Steroid compounds, uses and methods of preparation thereof	20190108
US-2019144424-A1	Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same	20171115

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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

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:	0.6