6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine

C14H8BrClF2N2O — CID 70282934

IUPAC6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine
SMILESFC(F)C1N=C(c2ccccn2)c2cc(Br)c(Cl)cc2O1
InChIInChI=1S/C14H8BrClF2N2O/c15-8-5-7-11(6-9(8)16)21-14(13(17)18)20-12(7)10-3-1-2-4-19-10/h1-6,13-14H
InChIKeyZCGQVVRXHXJMLB-UHFFFAOYSA-N
MW373.58 g/mol
LogP4.32
Rot. Bonds2

About 6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine

6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine (PubChem CID 70282934) has the molecular formula C14H8BrClF2N2O and a molecular weight of 373.58 g/mol. Its IUPAC name is 6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine.

Molecular Properties

Compound Name6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine
PubChem CID70282934
Molecular FormulaC14H8BrClF2N2O
Molecular Weight373.58 g/mol
Exact Mass371.95
IUPAC Name6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine
SMILESFC(F)C1N=C(c2ccccn2)c2cc(Br)c(Cl)cc2O1
InChIInChI=1S/C14H8BrClF2N2O/c15-8-5-7-11(6-9(8)16)21-14(13(17)18)20-12(7)10-3-1-2-4-19-10/h1-6,13-14H
InChIKeyZCGQVVRXHXJMLB-UHFFFAOYSA-N
XLogP4.32
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine?
The IUPAC name of 6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine (CID 70282934) is 6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine.
What is the SMILES notation for 6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine?
The canonical SMILES for 6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine is FC(F)C1N=C(c2ccccn2)c2cc(Br)c(Cl)cc2O1.
What is the InChIKey of 6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine?
The InChIKey is ZCGQVVRXHXJMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2N2O/c15-8-5-7-11(6-9(8)16)21-14(13(17)18)20-12(7)10-3-1-2-4-19-10/h1-6,13-14H.
What are the key properties of 6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine?
6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine has a molecular weight of 373.58 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-chloro-2-(difluoromethyl)-4-pyridin-2-yl-2H-1,3-benzoxazine is sourced from PubChem (CID 70282934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).