5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one

C14H10N2O2 — CID 45267507

IUPAC5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3cccnc3)oc(=O)c12
InChIInChI=1S/C14H10N2O2/c1-9-4-2-6-11-12(9)14(17)18-13(16-11)10-5-3-7-15-8-10/h2-8H,1H3
InChIKeyIAAIIUZOBSSGHE-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.56
Rot. Bonds1

About 5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one

5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one (PubChem CID 45267507) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one
PubChem CID45267507
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3cccnc3)oc(=O)c12
InChIInChI=1S/C14H10N2O2/c1-9-4-2-6-11-12(9)14(17)18-13(16-11)10-5-3-7-15-8-10/h2-8H,1H3
InChIKeyIAAIIUZOBSSGHE-UHFFFAOYSA-N
XLogP2.56
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl Nicotinate
CID 7191
Octyl nicotinate
CID 96462
2-Methyl-3-[(pyridin-3-ylmethyl)-amino]-benzoic acid
CID 6492091
Methyl isoquinoline-5-carboxylate
CID 313259
4-({[2-(Methoxycarbonyl)phenyl]amino}carbonyl)-1-methylpyridinium
CID 837410
2-Methyl-3-[(pyridin-4-ylmethyl)-amino]-benzoic acid
CID 6492090
2-Pyridin-3-yl-benzo(d)(1,3)oxazin-4-one
CID 722912
Nicotinic acid, decyl ester
CID 220405
6-Phenylethynyl-nicotinic acid methyl ester
CID 14343219
(4-Tert-butyl-2,6-dimethylphenyl)methyl pyridine-3-carboxylate
CID 2361914
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl pyridine-3-carboxylate
CID 663730
5-methyl-2-(2-phenoxy-3-pyridinyl)-4H-3,1-benzoxazin-4-one
CID 2812522

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one?
The IUPAC name of 5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one (CID 45267507) is 5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one?
The canonical SMILES for 5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one is Cc1cccc2nc(-c3cccnc3)oc(=O)c12.
What is the InChIKey of 5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one?
The InChIKey is IAAIIUZOBSSGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-9-4-2-6-11-12(9)14(17)18-13(16-11)10-5-3-7-15-8-10/h2-8H,1H3.
What are the key properties of 5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one?
5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one has a molecular weight of 238.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-3-yl-3,1-benzoxazin-4-one is sourced from PubChem (CID 45267507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).