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

C12H9FN2 — CID 18439640

IUPAC8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine
SMILESFC1=CN2C=c3ccccc3=NC=C2C1
InChIInChI=1S/C12H9FN2/c13-10-5-11-6-14-12-4-2-1-3-9(12)7-15(11)8-10/h1-4,6-8H,5H2
InChIKeyZNEHADQLYYCNLB-UHFFFAOYSA-N
MW200.22 g/mol
LogP1.42
Rot. Bonds

About 8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine

8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine (PubChem CID 18439640) has the molecular formula C12H9FN2 and a molecular weight of 200.22 g/mol. Its IUPAC name is 8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine
PubChem CID18439640
Molecular FormulaC12H9FN2
Molecular Weight200.22 g/mol
Exact Mass200.07
IUPAC Name8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine
SMILESFC1=CN2C=c3ccccc3=NC=C2C1
InChIInChI=1S/C12H9FN2/c13-10-5-11-6-14-12-4-2-1-3-9(12)7-15(11)8-10/h1-4,6-8H,5H2
InChIKeyZNEHADQLYYCNLB-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine?
The IUPAC name of 8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine (CID 18439640) is 8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine.
What is the SMILES notation for 8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine?
The canonical SMILES for 8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine is FC1=CN2C=c3ccccc3=NC=C2C1.
What is the InChIKey of 8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine?
The InChIKey is ZNEHADQLYYCNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2/c13-10-5-11-6-14-12-4-2-1-3-9(12)7-15(11)8-10/h1-4,6-8H,5H2.
What are the key properties of 8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine?
8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine has a molecular weight of 200.22 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine is sourced from PubChem (CID 18439640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).