(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile

C9H11N3O — CID 130649323

IUPAC(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile
SMILESN#CC[C@H](N)c1cccc(CO)n1
InChIInChI=1S/C9H11N3O/c10-5-4-8(11)9-3-1-2-7(6-13)12-9/h1-3,8,13H,4,6,11H2/t8-/m0/s1
InChIKeyHYQSXXQCPBEOQE-QMMMGPOBSA-N
MW177.21 g/mol
LogP0.49
Rot. Bonds3

About (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile

(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile (PubChem CID 130649323) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile.

Molecular Properties

Compound Name(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile
PubChem CID130649323
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile
SMILESN#CC[C@H](N)c1cccc(CO)n1
InChIInChI=1S/C9H11N3O/c10-5-4-8(11)9-3-1-2-7(6-13)12-9/h1-3,8,13H,4,6,11H2/t8-/m0/s1
InChIKeyHYQSXXQCPBEOQE-QMMMGPOBSA-N
XLogP0.49
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
CID 55291801
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol
CID 55292733
3-amino-3-(6-chloro-2-pyridinyl)propanenitrile
CID 55294253
(3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile
CID 130737698
(3S)-3-amino-3-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propanenitrile
CID 130227548
(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol
CID 175632849
[6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol
CID 89375470
3-amino-3-(2H-triazol-4-yl)propanenitrile
CID 90050590
3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide
CID 171898958
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
CID 55265043
4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900419
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile?
The IUPAC name of (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile (CID 130649323) is (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile.
What is the SMILES notation for (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile?
The canonical SMILES for (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile is N#CC[C@H](N)c1cccc(CO)n1.
What is the InChIKey of (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile?
The InChIKey is HYQSXXQCPBEOQE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11N3O/c10-5-4-8(11)9-3-1-2-7(6-13)12-9/h1-3,8,13H,4,6,11H2/t8-/m0/s1.
What are the key properties of (3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile?
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile has a molecular weight of 177.21 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 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]propanenitrile is sourced from PubChem (CID 130649323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).