(9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine

C14H14FN5 — CID 70620744

IUPAC(9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine
SMILESNNN1CC=Nc2c(F)cccc2C1c1ccccn1
InChIInChI=1S/C14H14FN5/c15-11-5-3-4-10-13(11)18-8-9-20(19-16)14(10)12-6-1-2-7-17-12/h1-8,14,19H,9,16H2
InChIKeyQLXRHOBTOCPFHT-UHFFFAOYSA-N
MW271.30 g/mol
LogP1.71
Rot. Bonds2

About (9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine

(9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine (PubChem CID 70620744) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is (9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine.

Molecular Properties

Compound Name(9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine
PubChem CID70620744
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name(9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine
SMILESNNN1CC=Nc2c(F)cccc2C1c1ccccn1
InChIInChI=1S/C14H14FN5/c15-11-5-3-4-10-13(11)18-8-9-20(19-16)14(10)12-6-1-2-7-17-12/h1-8,14,19H,9,16H2
InChIKeyQLXRHOBTOCPFHT-UHFFFAOYSA-N
XLogP1.71
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine?
The IUPAC name of (9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine (CID 70620744) is (9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine.
What is the SMILES notation for (9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine?
The canonical SMILES for (9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine is NNN1CC=Nc2c(F)cccc2C1c1ccccn1.
What is the InChIKey of (9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine?
The InChIKey is QLXRHOBTOCPFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c15-11-5-3-4-10-13(11)18-8-9-20(19-16)14(10)12-6-1-2-7-17-12/h1-8,14,19H,9,16H2.
What are the key properties of (9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine?
(9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine has a molecular weight of 271.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-fluoro-5-pyridin-2-yl-3,5-dihydro-1,4-benzodiazepin-4-yl)hydrazine is sourced from PubChem (CID 70620744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).