(2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol

C9H14N2O2 — CID 94252864

IUPAC(2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol
SMILESOC[C@H](O)CNCc1cccnc1
InChIInChI=1S/C9H14N2O2/c12-7-9(13)6-11-5-8-2-1-3-10-4-8/h1-4,9,11-13H,5-7H2/t9-/m1/s1
InChIKeyFVQNWIOJMWSRAS-SECBINFHSA-N
MW182.22 g/mol
LogP-0.48
Rot. Bonds5

About (2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol

(2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol (PubChem CID 94252864) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol
PubChem CID94252864
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol
SMILESOC[C@H](O)CNCc1cccnc1
InChIInChI=1S/C9H14N2O2/c12-7-9(13)6-11-5-8-2-1-3-10-4-8/h1-4,9,11-13H,5-7H2/t9-/m1/s1
InChIKeyFVQNWIOJMWSRAS-SECBINFHSA-N
XLogP-0.48
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795
1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol
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CID 142662312
1-(furan-2-ylmethoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633593
2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile
CID 43242702
methyl (2S)-2-methyl-3-(pyridin-3-ylmethylamino)propanoate
CID 93035167
1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633949
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
2-bromo-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 60874327

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol?
The IUPAC name of (2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol (CID 94252864) is (2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol?
The canonical SMILES for (2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol is OC[C@H](O)CNCc1cccnc1.
What is the InChIKey of (2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol?
The InChIKey is FVQNWIOJMWSRAS-SECBINFHSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-7-9(13)6-11-5-8-2-1-3-10-4-8/h1-4,9,11-13H,5-7H2/t9-/m1/s1.
What are the key properties of (2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol?
(2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol is sourced from PubChem (CID 94252864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).