1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine

C9H11ClN2 — CID 55291769

IUPAC1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(C)nc(Cl)c1
InChIInChI=1S/C9H11ClN2/c1-3-8(11)7-4-6(2)12-9(10)5-7/h3-5,8H,1,11H2,2H3
InChIKeyOIIQJQKJWSFFJH-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.23
Rot. Bonds2

About 1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine

1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine (PubChem CID 55291769) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine
PubChem CID55291769
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(C)nc(Cl)c1
InChIInChI=1S/C9H11ClN2/c1-3-8(11)7-4-6(2)12-9(10)5-7/h3-5,8H,1,11H2,2H3
InChIKeyOIIQJQKJWSFFJH-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine?
The IUPAC name of 1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine (CID 55291769) is 1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for 1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine is C=CC(N)c1cc(C)nc(Cl)c1.
What is the InChIKey of 1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine?
The InChIKey is OIIQJQKJWSFFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-3-8(11)7-4-6(2)12-9(10)5-7/h3-5,8H,1,11H2,2H3.
What are the key properties of 1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine?
1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine has a molecular weight of 182.65 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 55291769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).