[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine

C12H10ClFN2 — CID 105498362

IUPAC[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine
SMILESNCc1cc(Cl)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H10ClFN2/c13-12-6-8(7-15)5-11(16-12)9-1-3-10(14)4-2-9/h1-6H,7,15H2
InChIKeyWZZDNWWDZXAUGI-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.00
Rot. Bonds2

About [2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine

[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine (PubChem CID 105498362) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is [2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine
PubChem CID105498362
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine
SMILESNCc1cc(Cl)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H10ClFN2/c13-12-6-8(7-15)5-11(16-12)9-1-3-10(14)4-2-9/h1-6H,7,15H2
InChIKeyWZZDNWWDZXAUGI-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.00
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-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine (CID 105498362) is [2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine is NCc1cc(Cl)nc(-c2ccc(F)cc2)c1.
What is the InChIKey of [2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine?
The InChIKey is WZZDNWWDZXAUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c13-12-6-8(7-15)5-11(16-12)9-1-3-10(14)4-2-9/h1-6H,7,15H2.
What are the key properties of [2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine?
[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine has a molecular weight of 236.68 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 105498362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).