5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane

C12H17FN2O2 — CID 172604288

IUPAC5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane
SMILESCC(C)C.N#Cc1cnc(OCCO)c(F)c1
InChIInChI=1S/C8H7FN2O2.C4H10/c9-7-3-6(4-10)5-11-8(7)13-2-1-12;1-4(2)3/h3,5,12H,1-2H2;4H,1-3H3
InChIKeyNDCPDGQCDBXBNT-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.13
Rot. Bonds3

About 5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane

5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane (PubChem CID 172604288) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane.

Molecular Properties

Compound Name5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane
PubChem CID172604288
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane
SMILESCC(C)C.N#Cc1cnc(OCCO)c(F)c1
InChIInChI=1S/C8H7FN2O2.C4H10/c9-7-3-6(4-10)5-11-8(7)13-2-1-12;1-4(2)3/h3,5,12H,1-2H2;4H,1-3H3
InChIKeyNDCPDGQCDBXBNT-UHFFFAOYSA-N
XLogP2.13
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-4-(4-hydroxybutan-2-ylsulfanyl)benzonitrile
CID 81294069
5-amino-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carbonitrile
CID 103469781
ethane;3-fluoro-5-[3-(2-hydroxyethoxy)-4-methylpyrazol-1-yl]benzonitrile
CID 145347282
5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091929
3-[3-(4-hydroxybutan-2-ylsulfanyl)propoxy]benzonitrile
CID 66139224
3-fluoro-4-[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]benzonitrile
CID 94824324
5-amino-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carbonitrile
CID 103469800
5-nitro-6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
CID 103473272
2-methoxypyridine-3,5-dicarbonitrile
CID 84650868
acetaldehyde;2-(6-cyclohexyloxy-5-fluoro-3-pyridinyl)pyrimidine-5-carbonitrile;2-(methylamino)propan-1-ol
CID 144830456
3-fluoro-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]benzonitrile
CID 106158221
5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile
CID 130699081

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane?
The IUPAC name of 5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane (CID 172604288) is 5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane.
What is the SMILES notation for 5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane?
The canonical SMILES for 5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane is CC(C)C.N#Cc1cnc(OCCO)c(F)c1.
What is the InChIKey of 5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane?
The InChIKey is NDCPDGQCDBXBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2.C4H10/c9-7-3-6(4-10)5-11-8(7)13-2-1-12;1-4(2)3/h3,5,12H,1-2H2;4H,1-3H3.
What are the key properties of 5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane?
5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane has a molecular weight of 240.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane is sourced from PubChem (CID 172604288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).