6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

C14H11BrClFN2O — CID 150887702

IUPAC6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESFc1cc(Cl)ccc1CN1CCOc2ccc(Br)nc21
InChIInChI=1S/C14H11BrClFN2O/c15-13-4-3-12-14(18-13)19(5-6-20-12)8-9-1-2-10(16)7-11(9)17/h1-4,7H,5-6,8H2
InChIKeyKXJJFSADMPLSMS-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.04
Rot. Bonds2

About 6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 150887702) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID150887702
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESFc1cc(Cl)ccc1CN1CCOc2ccc(Br)nc21
InChIInChI=1S/C14H11BrClFN2O/c15-13-4-3-12-14(18-13)19(5-6-20-12)8-9-1-2-10(16)7-11(9)17/h1-4,7H,5-6,8H2
InChIKeyKXJJFSADMPLSMS-UHFFFAOYSA-N
XLogP4.04
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 150887702) is 6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is Fc1cc(Cl)ccc1CN1CCOc2ccc(Br)nc21.
What is the InChIKey of 6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is KXJJFSADMPLSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c15-13-4-3-12-14(18-13)19(5-6-20-12)8-9-1-2-10(16)7-11(9)17/h1-4,7H,5-6,8H2.
What are the key properties of 6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 357.61 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 150887702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).