3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile

C10H12N2O2 — CID 171900457

IUPAC3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile
SMILESCc1ccc(C(O)C(O)CC#N)nc1
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8(12-6-7)10(14)9(13)4-5-11/h2-3,6,9-10,13-14H,4H2,1H3
InChIKeyRSRNQTINEMXVBH-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.70
Rot. Bonds3

About 3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile

3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile (PubChem CID 171900457) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile.

Molecular Properties

Compound Name3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile
PubChem CID171900457
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile
SMILESCc1ccc(C(O)C(O)CC#N)nc1
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8(12-6-7)10(14)9(13)4-5-11/h2-3,6,9-10,13-14H,4H2,1H3
InChIKeyRSRNQTINEMXVBH-UHFFFAOYSA-N
XLogP0.70
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900634
3,4-dihydroxy-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanenitrile
CID 171902005
4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900675
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
3,4-dihydroxy-4-quinolin-2-ylbutanenitrile
CID 171901182
4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900636
4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900676
4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900665
1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile
CID 81319128
4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900419
6-(3-bromo-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171859650
2-(methylamino)-1-(5-methyl-2-pyridinyl)ethanol
CID 82597132

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile?
The IUPAC name of 3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile (CID 171900457) is 3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile.
What is the SMILES notation for 3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile?
The canonical SMILES for 3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile is Cc1ccc(C(O)C(O)CC#N)nc1.
What is the InChIKey of 3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile?
The InChIKey is RSRNQTINEMXVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-3-8(12-6-7)10(14)9(13)4-5-11/h2-3,6,9-10,13-14H,4H2,1H3.
What are the key properties of 3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile?
3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile has a molecular weight of 192.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile is sourced from PubChem (CID 171900457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).