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

C7H8ClFN2 — CID 145391101

IUPAC[6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(CF)cc(Cl)n1
InChIInChI=1S/C7H8ClFN2/c8-7-2-5(3-9)1-6(4-10)11-7/h1-2H,3-4,10H2
InChIKeyUEHYRLNOCJRWBX-UHFFFAOYSA-N
MW174.61 g/mol
LogP1.66
Rot. Bonds2

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

[6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine (PubChem CID 145391101) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is [6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine
PubChem CID145391101
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name[6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(CF)cc(Cl)n1
InChIInChI=1S/C7H8ClFN2/c8-7-2-5(3-9)1-6(4-10)11-7/h1-2H,3-4,10H2
InChIKeyUEHYRLNOCJRWBX-UHFFFAOYSA-N
XLogP1.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 51.66
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 [6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine (CID 145391101) is [6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine is NCc1cc(CF)cc(Cl)n1.
What is the InChIKey of [6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is UEHYRLNOCJRWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2/c8-7-2-5(3-9)1-6(4-10)11-7/h1-2H,3-4,10H2.
What are the key properties of [6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine?
[6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 174.61 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(fluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 145391101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).