1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine

C7H8Cl2N2 — CID 22450421

IUPAC1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)nc1Cl
InChIInChI=1S/C7H8Cl2N2/c1-10-4-5-2-3-6(8)11-7(5)9/h2-3,10H,4H2,1H3
InChIKeyIOOZLHHLQUFFAJ-UHFFFAOYSA-N
MW191.06 g/mol
LogP2.11
Rot. Bonds2

About 1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine

1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine (PubChem CID 22450421) has the molecular formula C7H8Cl2N2 and a molecular weight of 191.06 g/mol. Its IUPAC name is 1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine
PubChem CID22450421
Molecular FormulaC7H8Cl2N2
Molecular Weight191.06 g/mol
Exact Mass190.01
IUPAC Name1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)nc1Cl
InChIInChI=1S/C7H8Cl2N2/c1-10-4-5-2-3-6(8)11-7(5)9/h2-3,10H,4H2,1H3
InChIKeyIOOZLHHLQUFFAJ-UHFFFAOYSA-N
XLogP2.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 52.11
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-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine (CID 22450421) is 1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine is CNCc1ccc(Cl)nc1Cl.
What is the InChIKey of 1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine?
The InChIKey is IOOZLHHLQUFFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2/c1-10-4-5-2-3-6(8)11-7(5)9/h2-3,10H,4H2,1H3.
What are the key properties of 1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine?
1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine has a molecular weight of 191.06 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 22450421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).