[(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol

C9H12N2O — CID 130621194

IUPAC[(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1Nc1ccccn1
InChIInChI=1S/C9H12N2O/c12-6-7-5-8(7)11-9-3-1-2-4-10-9/h1-4,7-8,12H,5-6H2,(H,10,11)/t7-,8+/m0/s1
InChIKeyXOZJPUFFYXDXIE-JGVFFNPUSA-N
MW164.21 g/mol
LogP0.87
Rot. Bonds3

About [(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol

[(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol (PubChem CID 130621194) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is [(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol
PubChem CID130621194
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name[(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1Nc1ccccn1
InChIInChI=1S/C9H12N2O/c12-6-7-5-8(7)11-9-3-1-2-4-10-9/h1-4,7-8,12H,5-6H2,(H,10,11)/t7-,8+/m0/s1
InChIKeyXOZJPUFFYXDXIE-JGVFFNPUSA-N
XLogP0.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol?
The IUPAC name of [(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol (CID 130621194) is [(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol is OC[C@@H]1C[C@H]1Nc1ccccn1.
What is the InChIKey of [(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol?
The InChIKey is XOZJPUFFYXDXIE-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H12N2O/c12-6-7-5-8(7)11-9-3-1-2-4-10-9/h1-4,7-8,12H,5-6H2,(H,10,11)/t7-,8+/m0/s1.
What are the key properties of [(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol?
[(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol has a molecular weight of 164.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(pyridin-2-ylamino)cyclopropyl]methanol is sourced from PubChem (CID 130621194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).