3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile

C9H8N2O3 — CID 171870013

IUPAC3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1cccc(C=O)n1
InChIInChI=1S/C9H8N2O3/c10-4-8(13)9(14)7-3-1-2-6(5-12)11-7/h1-3,5,8-9,13-14H
InChIKeySNOCQGYQULLRNX-UHFFFAOYSA-N
MW192.17 g/mol
LogP-0.19
Rot. Bonds3

About 3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile

3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile (PubChem CID 171870013) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile.

Molecular Properties

Compound Name3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile
PubChem CID171870013
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1cccc(C=O)n1
InChIInChI=1S/C9H8N2O3/c10-4-8(13)9(14)7-3-1-2-6(5-12)11-7/h1-3,5,8-9,13-14H
InChIKeySNOCQGYQULLRNX-UHFFFAOYSA-N
XLogP-0.19
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

3-(3-formylphenyl)-2,3-dihydroxypropanenitrile
CID 171869851
6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde
CID 55293225
3-(2-bromo-3-formylphenyl)-2,3-dihydroxypropanenitrile
CID 171871457
3-(6-formyl-2-pyridinyl)prop-2-enenitrile
CID 169483263
tert-butyl N-[4-(6-formyl-2-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884624
6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde
CID 4975903
2,3-dihydroxy-3-(1H-indol-7-yl)propanenitrile
CID 171870401
3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171871356
3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171871119
3-(2-chloro-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869707
2,3-dihydroxy-3-(3-hydroxyphenyl)propanenitrile
CID 171869668
6-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
CID 133093639

Frequently Asked Questions

What is the IUPAC name of 3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile?
The IUPAC name of 3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile (CID 171870013) is 3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile.
What is the SMILES notation for 3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile?
The canonical SMILES for 3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile is N#CC(O)C(O)c1cccc(C=O)n1.
What is the InChIKey of 3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile?
The InChIKey is SNOCQGYQULLRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c10-4-8(13)9(14)7-3-1-2-6(5-12)11-7/h1-3,5,8-9,13-14H.
What are the key properties of 3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile?
3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile has a molecular weight of 192.17 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile is sourced from PubChem (CID 171870013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).