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

C9H11ClN2O — CID 159613032

IUPAC1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine
SMILESC=CC(N)c1ccc(Cl)c(OC)n1
InChIInChI=1S/C9H11ClN2O/c1-3-7(11)8-5-4-6(10)9(12-8)13-2/h3-5,7H,1,11H2,2H3
InChIKeyMMYDXBSDKNHVNO-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.93
Rot. Bonds3

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

1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine (PubChem CID 159613032) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine
PubChem CID159613032
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine
SMILESC=CC(N)c1ccc(Cl)c(OC)n1
InChIInChI=1S/C9H11ClN2O/c1-3-7(11)8-5-4-6(10)9(12-8)13-2/h3-5,7H,1,11H2,2H3
InChIKeyMMYDXBSDKNHVNO-UHFFFAOYSA-N
XLogP1.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-chloro-3-methoxyphenyl)prop-2-en-1-amine
CID 55270647
(1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine
CID 130619604
(1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 131218927
(1S)-1-(3-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 55270391
1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
CID 115530047
1-(6-methylpyridazin-3-yl)prop-2-en-1-amine
CID 130909691
2-methoxy-6-propan-2-ylpyridin-3-amine
CID 82597195
(1S)-1-(6-ethenyl-2-pyridinyl)prop-2-en-1-amine
CID 74891770
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 131139061
1-(4-chloro-2-pyridinyl)prop-2-en-1-amine
CID 55294042
(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride
CID 171222960
(1S)-1-(5-chloro-2-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 130747269

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine?
The IUPAC name of 1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine (CID 159613032) is 1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for 1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine is C=CC(N)c1ccc(Cl)c(OC)n1.
What is the InChIKey of 1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine?
The InChIKey is MMYDXBSDKNHVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-3-7(11)8-5-4-6(10)9(12-8)13-2/h3-5,7H,1,11H2,2H3.
What are the key properties of 1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine?
1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine has a molecular weight of 198.65 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 159613032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).