(2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one

C14H11FN2O2 — CID 134497211

IUPAC(2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one
SMILESC[C@H]1Oc2c(F)cc(-c3cccnc3)cc2NC1=O
InChIInChI=1S/C14H11FN2O2/c1-8-14(18)17-12-6-10(5-11(15)13(12)19-8)9-3-2-4-16-7-9/h2-8H,1H3,(H,17,18)/t8-/m1/s1
InChIKeyGHAWNWWWYMIRFB-MRVPVSSYSA-N
MW258.25 g/mol
LogP2.61
Rot. Bonds1

About (2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one

(2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one (PubChem CID 134497211) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is (2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name(2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one
PubChem CID134497211
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name(2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one
SMILESC[C@H]1Oc2c(F)cc(-c3cccnc3)cc2NC1=O
InChIInChI=1S/C14H11FN2O2/c1-8-14(18)17-12-6-10(5-11(15)13(12)19-8)9-3-2-4-16-7-9/h2-8H,1H3,(H,17,18)/t8-/m1/s1
InChIKeyGHAWNWWWYMIRFB-MRVPVSSYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one?
The IUPAC name of (2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one (CID 134497211) is (2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for (2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for (2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one is C[C@H]1Oc2c(F)cc(-c3cccnc3)cc2NC1=O.
What is the InChIKey of (2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one?
The InChIKey is GHAWNWWWYMIRFB-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-8-14(18)17-12-6-10(5-11(15)13(12)19-8)9-3-2-4-16-7-9/h2-8H,1H3,(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one?
(2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one has a molecular weight of 258.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 134497211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).