1-(3-chloro-5-methyl-2-pyridinyl)ethanamine

C8H11ClN2 — CID 172571190

IUPAC1-(3-chloro-5-methyl-2-pyridinyl)ethanamine
SMILESCc1cnc(C(C)N)c(Cl)c1
InChIInChI=1S/C8H11ClN2/c1-5-3-7(9)8(6(2)10)11-4-5/h3-4,6H,10H2,1-2H3
InChIKeyGHDHNJYYOPCDTL-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.06
Rot. Bonds1

About 1-(3-chloro-5-methyl-2-pyridinyl)ethanamine

1-(3-chloro-5-methyl-2-pyridinyl)ethanamine (PubChem CID 172571190) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-(3-chloro-5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methyl-2-pyridinyl)ethanamine
PubChem CID172571190
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name1-(3-chloro-5-methyl-2-pyridinyl)ethanamine
SMILESCc1cnc(C(C)N)c(Cl)c1
InChIInChI=1S/C8H11ClN2/c1-5-3-7(9)8(6(2)10)11-4-5/h3-4,6H,10H2,1-2H3
InChIKeyGHDHNJYYOPCDTL-UHFFFAOYSA-N
XLogP2.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-chloro-5-methyl-2-pyridinyl)ethanamine (CID 172571190) is 1-(3-chloro-5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-chloro-5-methyl-2-pyridinyl)ethanamine is Cc1cnc(C(C)N)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methyl-2-pyridinyl)ethanamine?
The InChIKey is GHDHNJYYOPCDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-5-3-7(9)8(6(2)10)11-4-5/h3-4,6H,10H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methyl-2-pyridinyl)ethanamine?
1-(3-chloro-5-methyl-2-pyridinyl)ethanamine has a molecular weight of 170.64 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 172571190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).