4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile

C10H11FN2O2 — CID 171900676

IUPAC4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESCc1cc(F)cnc1C(O)C(O)CC#N
InChIInChI=1S/C10H11FN2O2/c1-6-4-7(11)5-13-9(6)10(15)8(14)2-3-12/h4-5,8,10,14-15H,2H2,1H3
InChIKeyKMPUDHJUMZTRKS-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.84
Rot. Bonds3

About 4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile

4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile (PubChem CID 171900676) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile.

Molecular Properties

Compound Name4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
PubChem CID171900676
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESCc1cc(F)cnc1C(O)C(O)CC#N
InChIInChI=1S/C10H11FN2O2/c1-6-4-7(11)5-13-9(6)10(15)8(14)2-3-12/h4-5,8,10,14-15H,2H2,1H3
InChIKeyKMPUDHJUMZTRKS-UHFFFAOYSA-N
XLogP0.84
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The IUPAC name of 4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile (CID 171900676) is 4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile.
What is the SMILES notation for 4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The canonical SMILES for 4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile is Cc1cc(F)cnc1C(O)C(O)CC#N.
What is the InChIKey of 4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The InChIKey is KMPUDHJUMZTRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-6-4-7(11)5-13-9(6)10(15)8(14)2-3-12/h4-5,8,10,14-15H,2H2,1H3.
What are the key properties of 4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile has a molecular weight of 210.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile is sourced from PubChem (CID 171900676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).