4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine

C13H12N2O — CID 83167602

IUPAC4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine
SMILESNc1cnccc1-c1ccc2c(c1)COC2
InChIInChI=1S/C13H12N2O/c14-13-6-15-4-3-12(13)9-1-2-10-7-16-8-11(10)5-9/h1-6H,7-8,14H2
InChIKeyUNDSYMSCIVEKDD-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.36
Rot. Bonds1

About 4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine

4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine (PubChem CID 83167602) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine
PubChem CID83167602
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine
SMILESNc1cnccc1-c1ccc2c(c1)COC2
InChIInChI=1S/C13H12N2O/c14-13-6-15-4-3-12(13)9-1-2-10-7-16-8-11(10)5-9/h1-6H,7-8,14H2
InChIKeyUNDSYMSCIVEKDD-UHFFFAOYSA-N
XLogP2.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine?
The IUPAC name of 4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine (CID 83167602) is 4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine.
What is the SMILES notation for 4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine?
The canonical SMILES for 4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine is Nc1cnccc1-c1ccc2c(c1)COC2.
What is the InChIKey of 4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine?
The InChIKey is UNDSYMSCIVEKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13-6-15-4-3-12(13)9-1-2-10-7-16-8-11(10)5-9/h1-6H,7-8,14H2.
What are the key properties of 4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine?
4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine has a molecular weight of 212.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine is sourced from PubChem (CID 83167602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).