6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine

C15H12Cl2N2O — CID 10709839

IUPAC6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine
SMILESCC1(C)N=C(c2ccccn2)c2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C15H12Cl2N2O/c1-15(2)19-14(12-5-3-4-6-18-12)9-7-10(16)11(17)8-13(9)20-15/h3-8H,1-2H3
InChIKeyXQMJSHWOJKPOPQ-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.35
Rot. Bonds1

About 6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine

6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine (PubChem CID 10709839) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine.

Molecular Properties

Compound Name6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine
PubChem CID10709839
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine
SMILESCC1(C)N=C(c2ccccn2)c2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C15H12Cl2N2O/c1-15(2)19-14(12-5-3-4-6-18-12)9-7-10(16)11(17)8-13(9)20-15/h3-8H,1-2H3
InChIKeyXQMJSHWOJKPOPQ-UHFFFAOYSA-N
XLogP4.35
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine
CID 10640221
2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethoxy)-1,3-benzoxazine
CID 10710946
tert-butyl N-(2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine-6-carbonyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 19735106
4-(3-chloro-2-pyridinyl)-2,2-dimethyl-6-(trifluoromethyl)-1,3-benzoxazine
CID 19735116
3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline
CID 163782236
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
propane;2-pyridin-2-ylpyridine
CID 158168510
2-(3-chloro-2-iodophenyl)pyridine
CID 11290028
N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467141
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine
CID 140899415

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine?
The IUPAC name of 6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine (CID 10709839) is 6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine.
What is the SMILES notation for 6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine?
The canonical SMILES for 6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine is CC1(C)N=C(c2ccccn2)c2cc(Cl)c(Cl)cc2O1.
What is the InChIKey of 6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine?
The InChIKey is XQMJSHWOJKPOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-15(2)19-14(12-5-3-4-6-18-12)9-7-10(16)11(17)8-13(9)20-15/h3-8H,1-2H3.
What are the key properties of 6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine?
6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine has a molecular weight of 307.18 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine is sourced from PubChem (CID 10709839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).