2-(3-chloro-6-methyl-2-pyridinyl)ethanamine

C8H11ClN2 — CID 83874064

IUPAC2-(3-chloro-6-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(Cl)c(CCN)n1
InChIInChI=1S/C8H11ClN2/c1-6-2-3-7(9)8(11-6)4-5-10/h2-3H,4-5,10H2,1H3
InChIKeyHKBMCYAQBIRROP-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.54
Rot. Bonds2

About 2-(3-chloro-6-methyl-2-pyridinyl)ethanamine

2-(3-chloro-6-methyl-2-pyridinyl)ethanamine (PubChem CID 83874064) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-(3-chloro-6-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-6-methyl-2-pyridinyl)ethanamine
PubChem CID83874064
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name2-(3-chloro-6-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(Cl)c(CCN)n1
InChIInChI=1S/C8H11ClN2/c1-6-2-3-7(9)8(11-6)4-5-10/h2-3H,4-5,10H2,1H3
InChIKeyHKBMCYAQBIRROP-UHFFFAOYSA-N
XLogP1.54
TPSA38.91 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(3-chloro-6-methyl-2-pyridinyl)ethanamine (CID 83874064) is 2-(3-chloro-6-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-6-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-chloro-6-methyl-2-pyridinyl)ethanamine is Cc1ccc(Cl)c(CCN)n1.
What is the InChIKey of 2-(3-chloro-6-methyl-2-pyridinyl)ethanamine?
The InChIKey is HKBMCYAQBIRROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-6-2-3-7(9)8(11-6)4-5-10/h2-3H,4-5,10H2,1H3.
What are the key properties of 2-(3-chloro-6-methyl-2-pyridinyl)ethanamine?
2-(3-chloro-6-methyl-2-pyridinyl)ethanamine has a molecular weight of 170.64 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 83874064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).