1-(3-chloro-2-pyridinyl)-N-methylethanamine

C8H11ClN2 — CID 103845916

IUPAC1-(3-chloro-2-pyridinyl)-N-methylethanamine
SMILESCNC(C)c1ncccc1Cl
InChIInChI=1S/C8H11ClN2/c1-6(10-2)8-7(9)4-3-5-11-8/h3-6,10H,1-2H3
InChIKeyBWPYPVXGCJVRMG-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.02
Rot. Bonds2

About 1-(3-chloro-2-pyridinyl)-N-methylethanamine

1-(3-chloro-2-pyridinyl)-N-methylethanamine (PubChem CID 103845916) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-methylethanamine
PubChem CID103845916
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name1-(3-chloro-2-pyridinyl)-N-methylethanamine
SMILESCNC(C)c1ncccc1Cl
InChIInChI=1S/C8H11ClN2/c1-6(10-2)8-7(9)4-3-5-11-8/h3-6,10H,1-2H3
InChIKeyBWPYPVXGCJVRMG-UHFFFAOYSA-N
XLogP2.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methylethanamine (CID 103845916) is 1-(3-chloro-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-methylethanamine is CNC(C)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-methylethanamine?
The InChIKey is BWPYPVXGCJVRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-6(10-2)8-7(9)4-3-5-11-8/h3-6,10H,1-2H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-methylethanamine?
1-(3-chloro-2-pyridinyl)-N-methylethanamine has a molecular weight of 170.64 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 103845916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).