(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol

C9H14N2O2 — CID 55292733

IUPAC(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol
SMILESN[C@@H](CCO)c1cccc(CO)n1
InChIInChI=1S/C9H14N2O2/c10-8(4-5-12)9-3-1-2-7(6-13)11-9/h1-3,8,12-13H,4-6,10H2/t8-/m0/s1
InChIKeyWCXSLSHXVNYOKP-QMMMGPOBSA-N
MW182.22 g/mol
LogP-0.04
Rot. Bonds4

About (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol

(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol (PubChem CID 55292733) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol
PubChem CID55292733
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol
SMILESN[C@@H](CCO)c1cccc(CO)n1
InChIInChI=1S/C9H14N2O2/c10-8(4-5-12)9-3-1-2-7(6-13)11-9/h1-3,8,12-13H,4-6,10H2/t8-/m0/s1
InChIKeyWCXSLSHXVNYOKP-QMMMGPOBSA-N
XLogP-0.04
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
CID 55291801
3-amino-3-(6-amino-2-pyridinyl)propan-1-ol
CID 55292973
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile
CID 130649323
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
CID 55265043
(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol
CID 175632849
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
[6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol
CID 89375470
3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide
CID 171898958
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
2-(6-propan-2-yl-2-pyridinyl)ethanol
CID 67800992

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol?
The IUPAC name of (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol (CID 55292733) is (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol is N[C@@H](CCO)c1cccc(CO)n1.
What is the InChIKey of (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol?
The InChIKey is WCXSLSHXVNYOKP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-8(4-5-12)9-3-1-2-7(6-13)11-9/h1-3,8,12-13H,4-6,10H2/t8-/m0/s1.
What are the key properties of (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol?
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol has a molecular weight of 182.22 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 55292733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).