1-(6-chloro-3-pyridinyl)-N-methylmethanamine

C7H9ClN2 — CID 11094883

IUPAC1-(6-chloro-3-pyridinyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)nc1
InChIInChI=1S/C7H9ClN2/c1-9-4-6-2-3-7(8)10-5-6/h2-3,5,9H,4H2,1H3
InChIKeyXALCOJXGWJXWBL-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.45
Rot. Bonds2

About 1-(6-chloro-3-pyridinyl)-N-methylmethanamine

1-(6-chloro-3-pyridinyl)-N-methylmethanamine (PubChem CID 11094883) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-methylmethanamine
PubChem CID11094883
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name1-(6-chloro-3-pyridinyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)nc1
InChIInChI=1S/C7H9ClN2/c1-9-4-6-2-3-7(8)10-5-6/h2-3,5,9H,4H2,1H3
InChIKeyXALCOJXGWJXWBL-UHFFFAOYSA-N
XLogP1.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.45
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-chloro-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-methylmethanamine (CID 11094883) is 1-(6-chloro-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-methylmethanamine is CNCc1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-methylmethanamine?
The InChIKey is XALCOJXGWJXWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-9-4-6-2-3-7(8)10-5-6/h2-3,5,9H,4H2,1H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-methylmethanamine?
1-(6-chloro-3-pyridinyl)-N-methylmethanamine has a molecular weight of 156.62 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 11094883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).