3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine

C10H13ClN2 — CID 169473297

IUPAC3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ncc(Cl)cc1C
InChIInChI=1S/C10H13ClN2/c1-8-6-9(11)7-13-10(8)4-3-5-12-2/h3-4,6-7,12H,5H2,1-2H3
InChIKeyBUNZNAVJGPBHLS-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.28
Rot. Bonds3

About 3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine

3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine (PubChem CID 169473297) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine
PubChem CID169473297
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ncc(Cl)cc1C
InChIInChI=1S/C10H13ClN2/c1-8-6-9(11)7-13-10(8)4-3-5-12-2/h3-4,6-7,12H,5H2,1-2H3
InChIKeyBUNZNAVJGPBHLS-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine (CID 169473297) is 3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine is CNCC=Cc1ncc(Cl)cc1C.
What is the InChIKey of 3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine?
The InChIKey is BUNZNAVJGPBHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-8-6-9(11)7-13-10(8)4-3-5-12-2/h3-4,6-7,12H,5H2,1-2H3.
What are the key properties of 3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine?
3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine has a molecular weight of 196.68 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169473297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).