5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine

C12H11ClN2O — CID 121013495

IUPAC5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine
SMILESC=CCNc1cc(Cl)cnc1-c1ccco1
InChIInChI=1S/C12H11ClN2O/c1-2-5-14-10-7-9(13)8-15-12(10)11-4-3-6-16-11/h2-4,6-8,14H,1,5H2
InChIKeyDOYMVFYOOMOTFA-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.59
Rot. Bonds4

About 5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine

5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine (PubChem CID 121013495) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine.

Molecular Properties

Compound Name5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine
PubChem CID121013495
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine
SMILESC=CCNc1cc(Cl)cnc1-c1ccco1
InChIInChI=1S/C12H11ClN2O/c1-2-5-14-10-7-9(13)8-15-12(10)11-4-3-6-16-11/h2-4,6-8,14H,1,5H2
InChIKeyDOYMVFYOOMOTFA-UHFFFAOYSA-N
XLogP3.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine?
The IUPAC name of 5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine (CID 121013495) is 5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine.
What is the SMILES notation for 5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine?
The canonical SMILES for 5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine is C=CCNc1cc(Cl)cnc1-c1ccco1.
What is the InChIKey of 5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine?
The InChIKey is DOYMVFYOOMOTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-2-5-14-10-7-9(13)8-15-12(10)11-4-3-6-16-11/h2-4,6-8,14H,1,5H2.
What are the key properties of 5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine?
5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine has a molecular weight of 234.69 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(furan-2-yl)-N-prop-2-enylpyridin-3-amine is sourced from PubChem (CID 121013495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).