4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

C9H8F2N2O2 — CID 178041409

IUPAC4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESCc1ccnc2c1C(C(F)F)OC(=O)N2
InChIInChI=1S/C9H8F2N2O2/c1-4-2-3-12-8-5(4)6(7(10)11)15-9(14)13-8/h2-3,6-7H,1H3,(H,12,13,14)
InChIKeyXHXBXNLBVYXVMQ-UHFFFAOYSA-N
MW214.17 g/mol
LogP2.26
Rot. Bonds1

About 4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (PubChem CID 178041409) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
PubChem CID178041409
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESCc1ccnc2c1C(C(F)F)OC(=O)N2
InChIInChI=1S/C9H8F2N2O2/c1-4-2-3-12-8-5(4)6(7(10)11)15-9(14)13-8/h2-3,6-7H,1H3,(H,12,13,14)
InChIKeyXHXBXNLBVYXVMQ-UHFFFAOYSA-N
XLogP2.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 56953069
Ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate
CID 56953070
Carbamic acid, 2-pyridinyl-, phenylmethyl ester
CID 302978
1',2'-Dihydrospiro(azetidine-3,4'-pyrido(2,3-d)(1,3)oxazine)-2'-one; trifluoroacetic acid
CID 165946296
tert-butyl N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]carbamate
CID 101431417
Spiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazin]-2'(1'H)-one
CID 56763854
bis[4-(trifluoromethyl)-3-pyridinyl]methyl N-methylcarbamate
CID 54401850
(4-methyl-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-(1,2')bipyridinyl-4-yl)-carbamic acid benzyl ester
CID 66756558
tert-butyl N-[5-fluoro-4-(methoxymethyl)-2-pyridinyl]carbamate
CID 67282987
2-Pyrrolidin-1-yl-5-(2,2,2-trifluoro-1-methoxyethyl)pyridine
CID 68216026
2,2-dimethyl-N-[5-(2,2,2-trifluoro-ethoxymethyl)-pyridin-2-yl]-propionamide
CID 68841205
[2-(Boc-amino)-4-fluoropyridin-3-yl]methanol
CID 89656375

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (CID 178041409) is 4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is Cc1ccnc2c1C(C(F)F)OC(=O)N2.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The InChIKey is XHXBXNLBVYXVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c1-4-2-3-12-8-5(4)6(7(10)11)15-9(14)13-8/h2-3,6-7H,1H3,(H,12,13,14).
What are the key properties of 4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one has a molecular weight of 214.17 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is sourced from PubChem (CID 178041409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).