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

C10H10BrClN2 — CID 90152352

IUPAC4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCC1C=CN2N=C(Cl)C=C(Br)C2=CC1
InChIInChI=1S/C10H10BrClN2/c1-7-2-3-9-8(11)6-10(12)13-14(9)5-4-7/h3-7H,2H2,1H3
InChIKeyNAMSQLCXXLBHKI-UHFFFAOYSA-N
MW273.56 g/mol
LogP3.57
Rot. Bonds

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

4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine (PubChem CID 90152352) has the molecular formula C10H10BrClN2 and a molecular weight of 273.56 g/mol. Its IUPAC name is 4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine.

Molecular Properties

Compound Name4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
PubChem CID90152352
Molecular FormulaC10H10BrClN2
Molecular Weight273.56 g/mol
Exact Mass271.97
IUPAC Name4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
SMILESCC1C=CN2N=C(Cl)C=C(Br)C2=CC1
InChIInChI=1S/C10H10BrClN2/c1-7-2-3-9-8(11)6-10(12)13-14(9)5-4-7/h3-7H,2H2,1H3
InChIKeyNAMSQLCXXLBHKI-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The IUPAC name of 4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine (CID 90152352) is 4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine.
What is the SMILES notation for 4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The canonical SMILES for 4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine is CC1C=CN2N=C(Cl)C=C(Br)C2=CC1.
What is the InChIKey of 4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
The InChIKey is NAMSQLCXXLBHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2/c1-7-2-3-9-8(11)6-10(12)13-14(9)5-4-7/h3-7H,2H2,1H3.
What are the key properties of 4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine?
4-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 4-bromo-2-chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine is sourced from PubChem (CID 90152352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).