(2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride

C9H15ClN2O2 — CID 142384375

IUPAC(2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CO)Cc1ncccc1CO
InChIInChI=1S/C9H14N2O2.ClH/c10-8(6-13)4-9-7(5-12)2-1-3-11-9;/h1-3,8,12-13H,4-6,10H2;1H/t8-;/m1./s1
InChIKeyFFXMIDLRIUEYHH-DDWIOCJRSA-N
MW218.68 g/mol
LogP-0.14
Rot. Bonds4

About (2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride

(2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride (PubChem CID 142384375) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is (2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride
PubChem CID142384375
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name(2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CO)Cc1ncccc1CO
InChIInChI=1S/C9H14N2O2.ClH/c10-8(6-13)4-9-7(5-12)2-1-3-11-9;/h1-3,8,12-13H,4-6,10H2;1H/t8-;/m1./s1
InChIKeyFFXMIDLRIUEYHH-DDWIOCJRSA-N
XLogP-0.14
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-amino-3-hydroxypropyl]pyridin-3-ol;hydrochloride
CID 162337184
2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
CID 130576237
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879
(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 135394624
2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 66932650
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid
CID 155209331
[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol
CID 130671700
2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol
CID 170892468
2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 155890357
2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69488505

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride?
The IUPAC name of (2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride (CID 142384375) is (2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride is Cl.N[C@@H](CO)Cc1ncccc1CO.
What is the InChIKey of (2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride?
The InChIKey is FFXMIDLRIUEYHH-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H14N2O2.ClH/c10-8(6-13)4-9-7(5-12)2-1-3-11-9;/h1-3,8,12-13H,4-6,10H2;1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride?
(2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride has a molecular weight of 218.68 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[3-(hydroxymethyl)-2-pyridinyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 142384375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).