7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine

C12H9FN2 — CID 69422722

IUPAC7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine
SMILESFC1=CCN2C=c3ccccc3=NC=C12
InChIInChI=1S/C12H9FN2/c13-10-5-6-15-8-9-3-1-2-4-11(9)14-7-12(10)15/h1-5,7-8H,6H2
InChIKeyUCRRPASHDRXVJL-UHFFFAOYSA-N
MW200.22 g/mol
LogP1.07
Rot. Bonds

About 7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine

7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine (PubChem CID 69422722) has the molecular formula C12H9FN2 and a molecular weight of 200.22 g/mol. Its IUPAC name is 7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine
PubChem CID69422722
Molecular FormulaC12H9FN2
Molecular Weight200.22 g/mol
Exact Mass200.07
IUPAC Name7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine
SMILESFC1=CCN2C=c3ccccc3=NC=C12
InChIInChI=1S/C12H9FN2/c13-10-5-6-15-8-9-3-1-2-4-11(9)14-7-12(10)15/h1-5,7-8H,6H2
InChIKeyUCRRPASHDRXVJL-UHFFFAOYSA-N
XLogP1.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine?
The IUPAC name of 7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine (CID 69422722) is 7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine.
What is the SMILES notation for 7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine?
The canonical SMILES for 7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine is FC1=CCN2C=c3ccccc3=NC=C12.
What is the InChIKey of 7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine?
The InChIKey is UCRRPASHDRXVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2/c13-10-5-6-15-8-9-3-1-2-4-11(9)14-7-12(10)15/h1-5,7-8H,6H2.
What are the key properties of 7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine?
7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine has a molecular weight of 200.22 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine is sourced from PubChem (CID 69422722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).