CID 156632351

C9H12ClFN2 — CID 156632351

IUPAC—
SMILESFCl.c1cc(C2CCNC2)ccn1
InChIInChI=1S/C9H12N2.ClF/c1-4-10-5-2-8(1)9-3-6-11-7-9;1-2/h1-2,4-5,9,11H,3,6-7H2;
InChIKeyOWJMETHKCUMPAC-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.27
Rot. Bonds1

About CID 156632351

CID 156632351 (PubChem CID 156632351) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol.

Molecular Properties

Compound NameCID 156632351
PubChem CID156632351
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC Name—
SMILESFCl.c1cc(C2CCNC2)ccn1
InChIInChI=1S/C9H12N2.ClF/c1-4-10-5-2-8(1)9-3-6-11-7-9;1-2/h1-2,4-5,9,11H,3,6-7H2;
InChIKeyOWJMETHKCUMPAC-UHFFFAOYSA-N
XLogP2.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze CID 156632351 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 156632351?
The IUPAC name of CID 156632351 (CID 156632351) is not available.
What is the SMILES notation for CID 156632351?
The canonical SMILES for CID 156632351 is FCl.c1cc(C2CCNC2)ccn1.
What is the InChIKey of CID 156632351?
The InChIKey is OWJMETHKCUMPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.ClF/c1-4-10-5-2-8(1)9-3-6-11-7-9;1-2/h1-2,4-5,9,11H,3,6-7H2;.
What are the key properties of CID 156632351?
CID 156632351 has a molecular weight of 202.66 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156632351 is sourced from PubChem (CID 156632351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).