[2-(2-fluoro-4-pyridinyl)phenyl]methanamine

C12H11FN2 — CID 71114270

IUPAC[2-(2-fluoro-4-pyridinyl)phenyl]methanamine
SMILESNCc1ccccc1-c1ccnc(F)c1
InChIInChI=1S/C12H11FN2/c13-12-7-9(5-6-15-12)11-4-2-1-3-10(11)8-14/h1-7H,8,14H2
InChIKeyOFFJNGOMOYJFQV-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.35
Rot. Bonds2

About [2-(2-fluoro-4-pyridinyl)phenyl]methanamine

[2-(2-fluoro-4-pyridinyl)phenyl]methanamine (PubChem CID 71114270) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is [2-(2-fluoro-4-pyridinyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-fluoro-4-pyridinyl)phenyl]methanamine
PubChem CID71114270
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name[2-(2-fluoro-4-pyridinyl)phenyl]methanamine
SMILESNCc1ccccc1-c1ccnc(F)c1
InChIInChI=1S/C12H11FN2/c13-12-7-9(5-6-15-12)11-4-2-1-3-10(11)8-14/h1-7H,8,14H2
InChIKeyOFFJNGOMOYJFQV-UHFFFAOYSA-N
XLogP2.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-pyridinyl)phenyl]methanamine?
The IUPAC name of [2-(2-fluoro-4-pyridinyl)phenyl]methanamine (CID 71114270) is [2-(2-fluoro-4-pyridinyl)phenyl]methanamine.
What is the SMILES notation for [2-(2-fluoro-4-pyridinyl)phenyl]methanamine?
The canonical SMILES for [2-(2-fluoro-4-pyridinyl)phenyl]methanamine is NCc1ccccc1-c1ccnc(F)c1.
What is the InChIKey of [2-(2-fluoro-4-pyridinyl)phenyl]methanamine?
The InChIKey is OFFJNGOMOYJFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-12-7-9(5-6-15-12)11-4-2-1-3-10(11)8-14/h1-7H,8,14H2.
What are the key properties of [2-(2-fluoro-4-pyridinyl)phenyl]methanamine?
[2-(2-fluoro-4-pyridinyl)phenyl]methanamine has a molecular weight of 202.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-pyridinyl)phenyl]methanamine is sourced from PubChem (CID 71114270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).