[3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol

C15H14N2O2 — CID 75436013

IUPAC[3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol
SMILESOCc1ccncc1NCc1coc2ccccc12
InChIInChI=1S/C15H14N2O2/c18-9-11-5-6-16-8-14(11)17-7-12-10-19-15-4-2-1-3-13(12)15/h1-6,8,10,17-18H,7,9H2
InChIKeyULVYGDLHGGSJBE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.93
Rot. Bonds4

About [3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol

[3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol (PubChem CID 75436013) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is [3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol
PubChem CID75436013
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name[3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol
SMILESOCc1ccncc1NCc1coc2ccccc12
InChIInChI=1S/C15H14N2O2/c18-9-11-5-6-16-8-14(11)17-7-12-10-19-15-4-2-1-3-13(12)15/h1-6,8,10,17-18H,7,9H2
InChIKeyULVYGDLHGGSJBE-UHFFFAOYSA-N
XLogP2.93
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol?
The IUPAC name of [3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol (CID 75436013) is [3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol?
The canonical SMILES for [3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol is OCc1ccncc1NCc1coc2ccccc12.
What is the InChIKey of [3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol?
The InChIKey is ULVYGDLHGGSJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-9-11-5-6-16-8-14(11)17-7-12-10-19-15-4-2-1-3-13(12)15/h1-6,8,10,17-18H,7,9H2.
What are the key properties of [3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol?
[3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol has a molecular weight of 254.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzofuran-3-ylmethylamino)-4-pyridinyl]methanol is sourced from PubChem (CID 75436013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).