1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride

C7H11Cl2FN2 — CID 162422933

IUPAC1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1ccc(F)nc1.Cl.Cl
InChIInChI=1S/C7H9FN2.2ClH/c1-9-4-6-2-3-7(8)10-5-6;;/h2-3,5,9H,4H2,1H3;2*1H
InChIKeyPXQRNWRZKGKRDC-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.78
Rot. Bonds2

About 1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride

1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride (PubChem CID 162422933) has the molecular formula C7H11Cl2FN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride
PubChem CID162422933
Molecular FormulaC7H11Cl2FN2
Molecular Weight213.08 g/mol
Exact Mass212.03
IUPAC Name1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1ccc(F)nc1.Cl.Cl
InChIInChI=1S/C7H9FN2.2ClH/c1-9-4-6-2-3-7(8)10-5-6;;/h2-3,5,9H,4H2,1H3;2*1H
InChIKeyPXQRNWRZKGKRDC-UHFFFAOYSA-N
XLogP1.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 51.78
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-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride (CID 162422933) is 1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride is CNCc1ccc(F)nc1.Cl.Cl.
What is the InChIKey of 1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride?
The InChIKey is PXQRNWRZKGKRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2.2ClH/c1-9-4-6-2-3-7(8)10-5-6;;/h2-3,5,9H,4H2,1H3;2*1H.
What are the key properties of 1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride?
1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride has a molecular weight of 213.08 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 162422933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).