7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine

C14H12F2N2O — CID 112585711

IUPAC7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1Nc2ccc(F)cc2OC1c1ccc(F)cn1
InChIInChI=1S/C14H12F2N2O/c1-8-14(12-5-3-10(16)7-17-12)19-13-6-9(15)2-4-11(13)18-8/h2-8,14,18H,1H3
InChIKeyBDNNLWXOESYLHJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.29
Rot. Bonds1

About 7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine

7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 112585711) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID112585711
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1Nc2ccc(F)cc2OC1c1ccc(F)cn1
InChIInChI=1S/C14H12F2N2O/c1-8-14(12-5-3-10(16)7-17-12)19-13-6-9(15)2-4-11(13)18-8/h2-8,14,18H,1H3
InChIKeyBDNNLWXOESYLHJ-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 112585711) is 7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is CC1Nc2ccc(F)cc2OC1c1ccc(F)cn1.
What is the InChIKey of 7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BDNNLWXOESYLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-8-14(12-5-3-10(16)7-17-12)19-13-6-9(15)2-4-11(13)18-8/h2-8,14,18H,1H3.
What are the key properties of 7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 262.26 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(5-fluoro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 112585711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).