4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine

C12H14BrClN2 — CID 123753929

IUPAC4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCCC1=CC(C)CC=C2C(Br)=CC(Cl)=NN12
InChIInChI=1S/C12H14BrClN2/c1-3-9-6-8(2)4-5-11-10(13)7-12(14)15-16(9)11/h5-8H,3-4H2,1-2H3
InChIKeyQUOYSBNENFBRGJ-UHFFFAOYSA-N
MW301.62 g/mol
LogP4.35
Rot. Bonds1

About 4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine

4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine (PubChem CID 123753929) has the molecular formula C12H14BrClN2 and a molecular weight of 301.62 g/mol. Its IUPAC name is 4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine.

Molecular Properties

Compound Name4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
PubChem CID123753929
Molecular FormulaC12H14BrClN2
Molecular Weight301.62 g/mol
Exact Mass300.00
IUPAC Name4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCCC1=CC(C)CC=C2C(Br)=CC(Cl)=NN12
InChIInChI=1S/C12H14BrClN2/c1-3-9-6-8(2)4-5-11-10(13)7-12(14)15-16(9)11/h5-8H,3-4H2,1-2H3
InChIKeyQUOYSBNENFBRGJ-UHFFFAOYSA-N
XLogP4.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.62
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 90152352
2,4-Dibromo-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123151666
9-Bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123232977
2-Chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123600083
2-Bromo-9-ethyl-4,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123958898
(6E)-5-bromo-1-[(Z)-but-2-en-2-yl]-6-butylidene-3-chloropyridazine;ethane
CID 144342470
1-[(E)-1-bromo-3-methylpent-1-enyl]-3-chloro-6-methylidenepyridazine
CID 146476114
4-Bromo-2-chloro-9-iodo-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 154469735
(6E)-5-bromo-1-[(Z)-but-2-en-2-yl]-6-butylidene-3-chloropyridazine
CID 144342471

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The IUPAC name of 4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine (CID 123753929) is 4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine.
What is the SMILES notation for 4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The canonical SMILES for 4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine is CCC1=CC(C)CC=C2C(Br)=CC(Cl)=NN12.
What is the InChIKey of 4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The InChIKey is QUOYSBNENFBRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2/c1-3-9-6-8(2)4-5-11-10(13)7-12(14)15-16(9)11/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine has a molecular weight of 301.62 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine is sourced from PubChem (CID 123753929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).