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

C9H11ClN2 — CID 169463294

IUPAC3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine
SMILESCc1cc(Cl)cnc1C=CCN
InChIInChI=1S/C9H11ClN2/c1-7-5-8(10)6-12-9(7)3-2-4-11/h2-3,5-6H,4,11H2,1H3
InChIKeyUHLSXCWVEUVDAS-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.02
Rot. Bonds2

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

3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine (PubChem CID 169463294) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine
PubChem CID169463294
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine
SMILESCc1cc(Cl)cnc1C=CCN
InChIInChI=1S/C9H11ClN2/c1-7-5-8(10)6-12-9(7)3-2-4-11/h2-3,5-6H,4,11H2,1H3
InChIKeyUHLSXCWVEUVDAS-UHFFFAOYSA-N
XLogP2.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.02
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)prop-2-en-1-amine?
The IUPAC name of 3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine (CID 169463294) is 3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for 3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine is Cc1cc(Cl)cnc1C=CCN.
What is the InChIKey of 3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine?
The InChIKey is UHLSXCWVEUVDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-7-5-8(10)6-12-9(7)3-2-4-11/h2-3,5-6H,4,11H2,1H3.
What are the key properties of 3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine?
3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine has a molecular weight of 182.65 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 3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 169463294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).