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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Related Compounds

Tcv-295
CID 9999062
6-Bromo-3-pyridin-2-ylchromen-2-imine
CID 2358858
6-Bromo-7-fluoro-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine
CID 10521857
6-Bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine
CID 10806691
4-(3-Chloro-2-pyridinyl)-2,2-dimethyl-6-(trifluoromethyl)-1,3-benzoxazine
CID 19735116
2-(8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)pyridine
CID 19976133
6-Bromo-7-chloro-2,2-bis(fluoromethyl)-4-pyridin-2-yl-1,3-benzoxazine
CID 21831304
4-((4-Bromo-2-(trifluoromethyl)phenoxy)methyl)pyridine
CID 67294068
7-bromo-3-chloro-9-fluoro-5-methylene-5H-chromeno[2,3-c]pyridine
CID 86658479
8-chloro-5-(trifluoromethyl)-5H-chromeno[4,3-b]pyridine
CID 90233199
5-Bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine
CID 118344308
6-Bromo-7-chloro-2,2-bis(fluoromethyl)-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine
CID 139915474

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).