[[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol

C11H13N3O2 — CID 90987207

IUPAC[[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol
SMILESOC(NC(O)c1ccc[nH]1)c1cccnc1
InChIInChI=1S/C11H13N3O2/c15-10(8-3-1-5-12-7-8)14-11(16)9-4-2-6-13-9/h1-7,10-11,13-16H
InChIKeyOEESNAOITXPEKH-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.68
Rot. Bonds4

About [[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol

[[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol (PubChem CID 90987207) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol
PubChem CID90987207
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol
SMILESOC(NC(O)c1ccc[nH]1)c1cccnc1
InChIInChI=1S/C11H13N3O2/c15-10(8-3-1-5-12-7-8)14-11(16)9-4-2-6-13-9/h1-7,10-11,13-16H
InChIKeyOEESNAOITXPEKH-UHFFFAOYSA-N
XLogP0.68
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol?
The IUPAC name of [[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol (CID 90987207) is [[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol.
What is the SMILES notation for [[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol?
The canonical SMILES for [[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol is OC(NC(O)c1ccc[nH]1)c1cccnc1.
What is the InChIKey of [[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol?
The InChIKey is OEESNAOITXPEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-10(8-3-1-5-12-7-8)14-11(16)9-4-2-6-13-9/h1-7,10-11,13-16H.
What are the key properties of [[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol?
[[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol has a molecular weight of 219.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol is sourced from PubChem (CID 90987207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).