N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine

C9H9ClFN5 — CID 89353834

IUPACN-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine
SMILESCn1nnc(-c2cc(F)ccc2CNCl)n1
InChIInChI=1S/C9H9ClFN5/c1-16-14-9(13-15-16)8-4-7(11)3-2-6(8)5-12-10/h2-4,12H,5H2,1H3
InChIKeyCLXMESWOHCNWMW-UHFFFAOYSA-N
MW241.66 g/mol
LogP1.26
Rot. Bonds3

About N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine

N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine (PubChem CID 89353834) has the molecular formula C9H9ClFN5 and a molecular weight of 241.66 g/mol. Its IUPAC name is N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine
PubChem CID89353834
Molecular FormulaC9H9ClFN5
Molecular Weight241.66 g/mol
Exact Mass241.05
IUPAC NameN-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine
SMILESCn1nnc(-c2cc(F)ccc2CNCl)n1
InChIInChI=1S/C9H9ClFN5/c1-16-14-9(13-15-16)8-4-7(11)3-2-6(8)5-12-10/h2-4,12H,5H2,1H3
InChIKeyCLXMESWOHCNWMW-UHFFFAOYSA-N
XLogP1.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine 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 N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine?
The IUPAC name of N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine (CID 89353834) is N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine.
What is the SMILES notation for N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine?
The canonical SMILES for N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine is Cn1nnc(-c2cc(F)ccc2CNCl)n1.
What is the InChIKey of N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine?
The InChIKey is CLXMESWOHCNWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN5/c1-16-14-9(13-15-16)8-4-7(11)3-2-6(8)5-12-10/h2-4,12H,5H2,1H3.
What are the key properties of N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine?
N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine has a molecular weight of 241.66 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 89353834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).