3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine

C13H12F2N2O — CID 66792502

IUPAC3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine
SMILESFC1=CC(N2COc3cccnc3C2)=CCC1F
InChIInChI=1S/C13H12F2N2O/c14-10-4-3-9(6-11(10)15)17-7-12-13(18-8-17)2-1-5-16-12/h1-3,5-6,10H,4,7-8H2
InChIKeyHKDYMPXNUXKRLD-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.71
Rot. Bonds1

About 3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine

3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine (PubChem CID 66792502) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine.

Molecular Properties

Compound Name3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine
PubChem CID66792502
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine
SMILESFC1=CC(N2COc3cccnc3C2)=CCC1F
InChIInChI=1S/C13H12F2N2O/c14-10-4-3-9(6-11(10)15)17-7-12-13(18-8-17)2-1-5-16-12/h1-3,5-6,10H,4,7-8H2
InChIKeyHKDYMPXNUXKRLD-UHFFFAOYSA-N
XLogP2.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,11-dihydro-[1]benzoxepino[3,4-b]pyridine-11-carboxylic acid
CID 10421800
3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine
CID 140592211
3-(3,4-difluorophenyl)-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-(3,4-difluorophenyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine
CID 158991321
3-(2-bromo-3-pyridinyl)-2,4-dihydro-1,3-benzoxazin-5-amine
CID 90425841
(11R)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine
CID 129362353
[1,3]dioxolo[4,5-b]pyridine
CID 12563079
2,2,4-trimethyl-3,5-dihydropyrido[2,3-f][1,4]oxazepine
CID 135135724
2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene
CID 134158929
3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-pyridin-4-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine;3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;3-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 158310266
6-fluoro-7,8-dihydro-6H-quinolin-5-one
CID 166885117
6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine
CID 130470480
6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191240

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine?
The IUPAC name of 3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine (CID 66792502) is 3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine.
What is the SMILES notation for 3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine?
The canonical SMILES for 3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine is FC1=CC(N2COc3cccnc3C2)=CCC1F.
What is the InChIKey of 3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine?
The InChIKey is HKDYMPXNUXKRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c14-10-4-3-9(6-11(10)15)17-7-12-13(18-8-17)2-1-5-16-12/h1-3,5-6,10H,4,7-8H2.
What are the key properties of 3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine?
3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine has a molecular weight of 250.25 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-difluorocyclohexa-1,5-dien-1-yl)-2,4-dihydropyrido[2,3-e][1,3]oxazine is sourced from PubChem (CID 66792502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).