6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine

C9H11ClN2 — CID 169476998

IUPAC6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine
SMILESCc1cc(N)cnc1C=CCCl
InChIInChI=1S/C9H11ClN2/c1-7-5-8(11)6-12-9(7)3-2-4-10/h2-3,5-6H,4,11H2,1H3
InChIKeyTXDSTNWPXMUQDN-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.22
Rot. Bonds2

About 6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine

6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine (PubChem CID 169476998) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine
PubChem CID169476998
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine
SMILESCc1cc(N)cnc1C=CCCl
InChIInChI=1S/C9H11ClN2/c1-7-5-8(11)6-12-9(7)3-2-4-10/h2-3,5-6H,4,11H2,1H3
InChIKeyTXDSTNWPXMUQDN-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine?
The IUPAC name of 6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine (CID 169476998) is 6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine.
What is the SMILES notation for 6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine?
The canonical SMILES for 6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine is Cc1cc(N)cnc1C=CCCl.
What is the InChIKey of 6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine?
The InChIKey is TXDSTNWPXMUQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-7-5-8(11)6-12-9(7)3-2-4-10/h2-3,5-6H,4,11H2,1H3.
What are the key properties of 6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine?
6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine has a molecular weight of 182.65 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine is sourced from PubChem (CID 169476998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).