4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile

C10H11FN2O2 — CID 171900675

IUPAC4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESCc1nc(C(O)C(O)CC#N)ccc1F
InChIInChI=1S/C10H11FN2O2/c1-6-7(11)2-3-8(13-6)10(15)9(14)4-5-12/h2-3,9-10,14-15H,4H2,1H3
InChIKeyILUQECSAOKYFQN-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.84
Rot. Bonds3

About 4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile

4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile (PubChem CID 171900675) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile.

Molecular Properties

Compound Name4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
PubChem CID171900675
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESCc1nc(C(O)C(O)CC#N)ccc1F
InChIInChI=1S/C10H11FN2O2/c1-6-7(11)2-3-8(13-6)10(15)9(14)4-5-12/h2-3,9-10,14-15H,4H2,1H3
InChIKeyILUQECSAOKYFQN-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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Related Compounds

3,4-dihydroxy-4-quinolin-2-ylbutanenitrile
CID 171901182
3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile
CID 171900457
N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882758
4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900419
4-(6-hydrazinyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900776
6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900634
6-butan-2-yl-3-fluoro-2-methylpyridine
CID 134461280
3,4-dihydroxy-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanenitrile
CID 171902005
4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900676
4-(3-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898885
4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutanenitrile
CID 171900532
(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine
CID 131029062

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The IUPAC name of 4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile (CID 171900675) is 4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile.
What is the SMILES notation for 4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The canonical SMILES for 4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile is Cc1nc(C(O)C(O)CC#N)ccc1F.
What is the InChIKey of 4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The InChIKey is ILUQECSAOKYFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-6-7(11)2-3-8(13-6)10(15)9(14)4-5-12/h2-3,9-10,14-15H,4H2,1H3.
What are the key properties of 4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
4-(5-fluoro-6-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-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile is sourced from PubChem (CID 171900675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).