4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile

C9H11N3O2 — CID 171900419

IUPAC4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESN#CCC(O)C(O)c1cccc(N)n1
InChIInChI=1S/C9H11N3O2/c10-5-4-7(13)9(14)6-2-1-3-8(11)12-6/h1-3,7,9,13-14H,4H2,(H2,11,12)
InChIKeyHWTSNJHVCJWLCB-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.03
Rot. Bonds3

About 4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile

4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile (PubChem CID 171900419) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile.

Molecular Properties

Compound Name4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile
PubChem CID171900419
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESN#CCC(O)C(O)c1cccc(N)n1
InChIInChI=1S/C9H11N3O2/c10-5-4-7(13)9(14)6-2-1-3-8(11)12-6/h1-3,7,9,13-14H,4H2,(H2,11,12)
InChIKeyHWTSNJHVCJWLCB-UHFFFAOYSA-N
XLogP-0.03
TPSA103.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900776
3,4-dihydroxy-4-quinolin-2-ylbutanenitrile
CID 171901182
S-[4-(6-amino-2-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875337
4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900675
pentanedinitrile;pyridine-2,6-diamine
CID 158710105
4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanenitrile
CID 171901779
3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile
CID 171900457
6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900634
3,4-dihydroxy-4-(2-hydroxyphenyl)butanenitrile
CID 171900402
(1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol
CID 130815832
3,4-dihydroxy-4-naphthalen-2-ylbutanenitrile
CID 171901152
3-amino-3-(6-amino-2-pyridinyl)propan-1-ol
CID 55292973

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The IUPAC name of 4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile (CID 171900419) is 4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile.
What is the SMILES notation for 4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The canonical SMILES for 4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile is N#CCC(O)C(O)c1cccc(N)n1.
What is the InChIKey of 4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The InChIKey is HWTSNJHVCJWLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-5-4-7(13)9(14)6-2-1-3-8(11)12-6/h1-3,7,9,13-14H,4H2,(H2,11,12).
What are the key properties of 4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile?
4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile has a molecular weight of 193.21 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile is sourced from PubChem (CID 171900419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).