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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Related Compounds

3-(1,3-Dihydro-2-benzofuran-1-yl)pyridine
CID 10631791
5-[4-(Benzyloxy)butyl]pyridin-3-amine
CID 72896334
3-[1-(4-fluorophenyl)-5-pyridin-4-yl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 162640339
(+/-)-4-(2-(trifluoromethyl)tetrahydro-2H-pyran-2-yl)pyridin-3-amine
CID 66652583
6-(Methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine
CID 90169321
2-[4-(Methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine
CID 90945069
6-[2,6-Difluoro-4-(2-methoxypropan-2-yl)phenyl]-5-fluoropyridin-3-amine
CID 141341534
5-Fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine
CID 146348730
3-Fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine
CID 146612041
Ethyl 3-fluoro-5-methyl-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)benzenecarboximidate
CID 147393478
4-(3,3-Difluoro-4-phenylmethoxybutyl)-2-propan-2-ylpyridin-3-amine
CID 156295475
6-methoxy-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyridin-3-amine
CID 161943662

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).