6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine

C10H10BrClN2 — CID 155073293

IUPAC6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine
SMILESC=C1CCNc2c(Br)ccc(Cl)c2N1
InChIInChI=1S/C10H10BrClN2/c1-6-4-5-13-9-7(11)2-3-8(12)10(9)14-6/h2-3,13-14H,1,4-5H2
InChIKeyJHZPDRLALDNCAE-UHFFFAOYSA-N
MW273.56 g/mol
LogP3.84
Rot. Bonds

About 6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine

6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine (PubChem CID 155073293) has the molecular formula C10H10BrClN2 and a molecular weight of 273.56 g/mol. Its IUPAC name is 6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine
PubChem CID155073293
Molecular FormulaC10H10BrClN2
Molecular Weight273.56 g/mol
Exact Mass271.97
IUPAC Name6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine
SMILESC=C1CCNc2c(Br)ccc(Cl)c2N1
InChIInChI=1S/C10H10BrClN2/c1-6-4-5-13-9-7(11)2-3-8(12)10(9)14-6/h2-3,13-14H,1,4-5H2
InChIKeyJHZPDRLALDNCAE-UHFFFAOYSA-N
XLogP3.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
CID 130934873
4-chloro-7-fluoro-2,3-dihydro-1H-indole
CID 16783865
2-methylidene-6-prop-1-en-2-yl-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155072943
6-(7-bromo-1-methylindol-2-yl)-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155073182
5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline
CID 126978984
8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline
CID 82008492
7-chloro-4-nitro-2,3-dihydro-1H-indole
CID 57437687
2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155072945
6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 83821692
8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one
CID 135253791
6-[6-bromo-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155072955
7,8-dibromo-1,2,3,4-tetrahydroquinoline
CID 70471236

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine (CID 155073293) is 6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine is C=C1CCNc2c(Br)ccc(Cl)c2N1.
What is the InChIKey of 6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine?
The InChIKey is JHZPDRLALDNCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2/c1-6-4-5-13-9-7(11)2-3-8(12)10(9)14-6/h2-3,13-14H,1,4-5H2.
What are the key properties of 6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine?
6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine has a molecular weight of 273.56 g/mol, XLogP of 3.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-chloro-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 155073293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).