3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine

C9H11ClN2 — CID 169463285

IUPAC3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine
SMILESCc1cc(C=CCN)cnc1Cl
InChIInChI=1S/C9H11ClN2/c1-7-5-8(3-2-4-11)6-12-9(7)10/h2-3,5-6H,4,11H2,1H3
InChIKeyJBPONRNNPQSBQT-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.02
Rot. Bonds2

About 3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine

3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine (PubChem CID 169463285) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine
PubChem CID169463285
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine
SMILESCc1cc(C=CCN)cnc1Cl
InChIInChI=1S/C9H11ClN2/c1-7-5-8(3-2-4-11)6-12-9(7)10/h2-3,5-6H,4,11H2,1H3
InChIKeyJBPONRNNPQSBQT-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

Computed Properties (RDKit)

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

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Related Compounds

3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine
CID 169463327
3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine
CID 169463294
5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine
CID 169463540
1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 82225075
2-chloro-3,5-dimethylpyridine;hydrochloride
CID 174570107
(E)-3-(3-bromo-4-fluoro-5-methylphenyl)prop-2-en-1-amine
CID 117361697
5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile
CID 170486897
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631
2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile
CID 169463667
4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476193
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
5-tert-butyl-2-chloro-3-methylpyridine
CID 56974537

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine?
The IUPAC name of 3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine (CID 169463285) is 3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for 3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine is Cc1cc(C=CCN)cnc1Cl.
What is the InChIKey of 3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine?
The InChIKey is JBPONRNNPQSBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-7-5-8(3-2-4-11)6-12-9(7)10/h2-3,5-6H,4,11H2,1H3.
What are the key properties of 3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine?
3-(6-chloro-5-methyl-3-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-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 169463285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).