1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine

C7H8F2N2 — CID 23147702

IUPAC1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNCc1cc(F)cc(F)n1
InChIInChI=1S/C7H8F2N2/c1-10-4-6-2-5(8)3-7(9)11-6/h2-3,10H,4H2,1H3
InChIKeyQCRXFPGOBHIRLN-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.08
Rot. Bonds2

About 1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine

1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine (PubChem CID 23147702) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine
PubChem CID23147702
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNCc1cc(F)cc(F)n1
InChIInChI=1S/C7H8F2N2/c1-10-4-6-2-5(8)3-7(9)11-6/h2-3,10H,4H2,1H3
InChIKeyQCRXFPGOBHIRLN-UHFFFAOYSA-N
XLogP1.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.08
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 1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine (CID 23147702) is 1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine is CNCc1cc(F)cc(F)n1.
What is the InChIKey of 1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine?
The InChIKey is QCRXFPGOBHIRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c1-10-4-6-2-5(8)3-7(9)11-6/h2-3,10H,4H2,1H3.
What are the key properties of 1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine?
1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine has a molecular weight of 158.15 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 23147702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).