7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine

C10H10ClFN2 — CID 150770043

IUPAC7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
SMILESCN1C=c2c(F)c(Cl)ccc2=NCC1
InChIInChI=1S/C10H10ClFN2/c1-14-5-4-13-9-3-2-8(11)10(12)7(9)6-14/h2-3,6H,4-5H2,1H3
InChIKeyJZQZSOCABDXOJN-UHFFFAOYSA-N
MW212.66 g/mol
LogP0.78
Rot. Bonds

About 7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine

7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine (PubChem CID 150770043) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
PubChem CID150770043
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
SMILESCN1C=c2c(F)c(Cl)ccc2=NCC1
InChIInChI=1S/C10H10ClFN2/c1-14-5-4-13-9-3-2-8(11)10(12)7(9)6-14/h2-3,6H,4-5H2,1H3
InChIKeyJZQZSOCABDXOJN-UHFFFAOYSA-N
XLogP0.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine (CID 150770043) is 7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine is CN1C=c2c(F)c(Cl)ccc2=NCC1.
What is the InChIKey of 7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine?
The InChIKey is JZQZSOCABDXOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2/c1-14-5-4-13-9-3-2-8(11)10(12)7(9)6-14/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine?
7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine has a molecular weight of 212.66 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 150770043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).