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

C10H10BrClN2 — CID 123232977

IUPAC9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCC1C=C(Br)N2N=C(Cl)C=CC2=CC1
InChIInChI=1S/C10H10BrClN2/c1-7-2-3-8-4-5-10(12)13-14(8)9(11)6-7/h3-7H,2H2,1H3
InChIKeyANVMKKAGIGCZMQ-UHFFFAOYSA-N
MW273.56 g/mol
LogP3.57
Rot. Bonds

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

9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine (PubChem CID 123232977) has the molecular formula C10H10BrClN2 and a molecular weight of 273.56 g/mol. Its IUPAC name is 9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine.

Molecular Properties

Compound Name9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
PubChem CID123232977
Molecular FormulaC10H10BrClN2
Molecular Weight273.56 g/mol
Exact Mass271.97
IUPAC Name9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCC1C=C(Br)N2N=C(Cl)C=CC2=CC1
InChIInChI=1S/C10H10BrClN2/c1-7-2-3-8-4-5-10(12)13-14(8)9(11)6-7/h3-7H,2H2,1H3
InChIKeyANVMKKAGIGCZMQ-UHFFFAOYSA-N
XLogP3.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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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
2-Chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123600083
2-Chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123682772
4-Bromo-2-chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123753929
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
9-Bromo-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 146476136
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 9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The IUPAC name of 9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine (CID 123232977) is 9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine.
What is the SMILES notation for 9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The canonical SMILES for 9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine is CC1C=C(Br)N2N=C(Cl)C=CC2=CC1.
What is the InChIKey of 9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The InChIKey is ANVMKKAGIGCZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2/c1-7-2-3-8-4-5-10(12)13-14(8)9(11)6-7/h3-7H,2H2,1H3.
What are the key properties of 9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine has a molecular weight of 273.56 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine is sourced from PubChem (CID 123232977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).