6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine

C69H56F9N9O5 — CID 158122850

IUPAC6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine
SMILESFC(F)(F)C(c1ccc2c(c1)CN(c1ccccc1)CO2)(c1ccc2c(c1)CN(c1ccccc1)CO2)C(F)(F)F.Fc1cc2c(cc1F)OCN(c1ccccn1)C2.Fc1ccc2c(c1)CN(c1ccccn1)CO2.c1ccc(N2COc3cccnc3C2)nc1
InChIInChI=1S/C31H24F6N2O2.C13H10F2N2O.C13H11FN2O.C12H11N3O/c32-30(33,34)29(31(35,36)37,23-11-13-27-21(15-23)17-38(19-40-27)25-7-3-1-4-8-25)24-12-14-28-22(16-24)18-39(20-41-28)26-9-5-2-6-10-26;14-10-5-9-7-17(13-3-1-2-4-16-13)8-18-12(9)6-11(10)15;14-11-4-5-12-10(7-11)8-16(9-17-12)13-3-1-2-6-15-13;1-2-6-14-12(5-1)15-8-10-11(16-9-15)4-3-7-13-10/h1-16H,17-20H2;1-6H,7-8H2;1-7H,8-9H2;1-7H,8-9H2
InChIKeyFRUQXSBXRHNSAN-UHFFFAOYSA-N
MW1262.25 g/mol
LogP14.94
Rot. Bonds7

About 6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine

6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine (PubChem CID 158122850) has the molecular formula C69H56F9N9O5 and a molecular weight of 1262.25 g/mol. Its IUPAC name is 6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine.

Molecular Properties

Compound Name6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine
PubChem CID158122850
Molecular FormulaC69H56F9N9O5
Molecular Weight1262.25 g/mol
Exact Mass1261.43
IUPAC Name6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine
SMILESFC(F)(F)C(c1ccc2c(c1)CN(c1ccccc1)CO2)(c1ccc2c(c1)CN(c1ccccc1)CO2)C(F)(F)F.Fc1cc2c(cc1F)OCN(c1ccccn1)C2.Fc1ccc2c(c1)CN(c1ccccn1)CO2.c1ccc(N2COc3cccnc3C2)nc1
InChIInChI=1S/C31H24F6N2O2.C13H10F2N2O.C13H11FN2O.C12H11N3O/c32-30(33,34)29(31(35,36)37,23-11-13-27-21(15-23)17-38(19-40-27)25-7-3-1-4-8-25)24-12-14-28-22(16-24)18-39(20-41-28)26-9-5-2-6-10-26;14-10-5-9-7-17(13-3-1-2-4-16-13)8-18-12(9)6-11(10)15;14-11-4-5-12-10(7-11)8-16(9-17-12)13-3-1-2-6-15-13;1-2-6-14-12(5-1)15-8-10-11(16-9-15)4-3-7-13-10/h1-16H,17-20H2;1-6H,7-8H2;1-7H,8-9H2;1-7H,8-9H2
InChIKeyFRUQXSBXRHNSAN-UHFFFAOYSA-N
XLogP14.94
TPSA113.91 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001262.25
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine with MolForge

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Related Compounds

(4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466295
(S)-3-(4,4-difluoropiperidin-1-yl)-1-fluoro-7-(5-fluoropyridin-3-yl)-5'-H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazol]-2'-amine
CID 53464568
1-Fluoro-7-(2-fluoro-3-pyridinyl)-3-morpholin-4-ylspiro[chromeno[2,3-c]pyridine-5,3'-isoindole]-1'-amine
CID 56653081
(5S)-1-fluoro-7-(2-fluoro-3-pyridinyl)-3-morpholin-4-ylspiro[chromeno[2,3-c]pyridine-5,5'-pyrrolo[3,4-b]pyridine]-7'-amine
CID 56654142
(5S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 58465997
7-(2-Fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-d][1,3]oxazine]-2'-amine
CID 66728186
4-[7-(3-Phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine
CID 67035225
1-Fluoro-7-(2-fluoro-3-pyridinyl)-3-morpholin-4-ylspiro[chromeno[2,3-c]pyridine-5,5'-pyrrolo[3,4-b]pyridine]-7'-amine
CID 76387934
3'-(4,4-Difluoropiperidin-1-yl)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 76794642
N'-[1-fluoro-7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)-5H-chromeno[2,3-c]pyridin-5-yl]pyridine-2-carboximidamide
CID 123148935
N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 123186664
ethane;N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;propane;N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 144187105

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine?
The IUPAC name of 6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine (CID 158122850) is 6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine.
What is the SMILES notation for 6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine?
The canonical SMILES for 6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine is FC(F)(F)C(c1ccc2c(c1)CN(c1ccccc1)CO2)(c1ccc2c(c1)CN(c1ccccc1)CO2)C(F)(F)F.Fc1cc2c(cc1F)OCN(c1ccccn1)C2.Fc1ccc2c(c1)CN(c1ccccn1)CO2.c1ccc(N2COc3cccnc3C2)nc1.
What is the InChIKey of 6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine?
The InChIKey is FRUQXSBXRHNSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F6N2O2.C13H10F2N2O.C13H11FN2O.C12H11N3O/c32-30(33,34)29(31(35,36)37,23-11-13-27-21(15-23)17-38(19-40-27)25-7-3-1-4-8-25)24-12-14-28-22(16-24)18-39(20-41-28)26-9-5-2-6-10-26;14-10-5-9-7-17(13-3-1-2-4-16-13)8-18-12(9)6-11(10)15;14-11-4-5-12-10(7-11)8-16(9-17-12)13-3-1-2-6-15-13;1-2-6-14-12(5-1)15-8-10-11(16-9-15)4-3-7-13-10/h1-16H,17-20H2;1-6H,7-8H2;1-7H,8-9H2;1-7H,8-9H2.
What are the key properties of 6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine?
6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine has a molecular weight of 1262.25 g/mol, XLogP of 14.94, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-fluoro-3-pyridin-2-yl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;3-pyridin-2-yl-2,4-dihydropyrido[2,3-e][1,3]oxazine is sourced from PubChem (CID 158122850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).