2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile

C10H11N3O — CID 131182956

IUPAC2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@@H]1C[C@H]1CO
InChIInChI=1S/C10H11N3O/c11-5-7-2-1-3-12-10(7)13-9-4-8(9)6-14/h1-3,8-9,14H,4,6H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyHBWBIWKJFVLEKE-DTWKUNHWSA-N
MW189.22 g/mol
LogP0.75
Rot. Bonds3

About 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile

2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile (PubChem CID 131182956) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile
PubChem CID131182956
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@@H]1C[C@H]1CO
InChIInChI=1S/C10H11N3O/c11-5-7-2-1-3-12-10(7)13-9-4-8(9)6-14/h1-3,8-9,14H,4,6H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyHBWBIWKJFVLEKE-DTWKUNHWSA-N
XLogP0.75
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile (CID 131182956) is 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1N[C@@H]1C[C@H]1CO.
What is the InChIKey of 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile?
The InChIKey is HBWBIWKJFVLEKE-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H11N3O/c11-5-7-2-1-3-12-10(7)13-9-4-8(9)6-14/h1-3,8-9,14H,4,6H2,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile?
2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 131182956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).