2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol

C9H14N2O2 — CID 55292272

IUPAC2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol
SMILESCC(N)(CO)c1cc(CO)ccn1
InChIInChI=1S/C9H14N2O2/c1-9(10,6-13)8-4-7(5-12)2-3-11-8/h2-4,12-13H,5-6,10H2,1H3
InChIKeyHQIFMRBIRPWOIO-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.26
Rot. Bonds3

About 2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol

2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol (PubChem CID 55292272) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol
PubChem CID55292272
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol
SMILESCC(N)(CO)c1cc(CO)ccn1
InChIInChI=1S/C9H14N2O2/c1-9(10,6-13)8-4-7(5-12)2-3-11-8/h2-4,12-13H,5-6,10H2,1H3
InChIKeyHQIFMRBIRPWOIO-UHFFFAOYSA-N
XLogP-0.26
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol?
The IUPAC name of 2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol (CID 55292272) is 2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol is CC(N)(CO)c1cc(CO)ccn1.
What is the InChIKey of 2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol?
The InChIKey is HQIFMRBIRPWOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(10,6-13)8-4-7(5-12)2-3-11-8/h2-4,12-13H,5-6,10H2,1H3.
What are the key properties of 2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol?
2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol has a molecular weight of 182.22 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 55292272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).