4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile

C11H14N2O2 — CID 163464520

IUPAC4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile
SMILESCCOc1cc(C(O)CC)ncc1C#N
InChIInChI=1S/C11H14N2O2/c1-3-10(14)9-5-11(15-4-2)8(6-12)7-13-9/h5,7,10,14H,3-4H2,1-2H3
InChIKeyBRKBGTUASIRGNQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.80
Rot. Bonds4

About 4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile

4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile (PubChem CID 163464520) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile
PubChem CID163464520
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile
SMILESCCOc1cc(C(O)CC)ncc1C#N
InChIInChI=1S/C11H14N2O2/c1-3-10(14)9-5-11(15-4-2)8(6-12)7-13-9/h5,7,10,14H,3-4H2,1-2H3
InChIKeyBRKBGTUASIRGNQ-UHFFFAOYSA-N
XLogP1.80
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(5-ethenyl-6-oxo-4-prop-1-en-2-yl-2,3-dihydropyridin-1-yl)ethyl]-4-ethoxypyridine-3-carbonitrile
CID 156637791
2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile
CID 103939277
6-[1-[4-(1-bromoethenyl)-5-ethenyl-6-oxo-2,3-dihydropyridin-1-yl]ethyl]-4-ethoxypyridine-3-carbonitrile
CID 156637750
6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile
CID 59568649
4-ethoxy-6-[1-(5-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]pyridine-3-carbonitrile
CID 156637792
4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile
CID 137351285
3-[[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-methylamino]benzonitrile
CID 103938718
4-ethoxypyridine-3-carbonitrile;formic acid
CID 175946490
4-chloro-6,7-diethoxyquinoline-3-carbonitrile
CID 10778872
6-ethoxy-4-methylpyridine-3-carbonitrile
CID 84618208
4-chloro-2-ethoxybenzonitrile
CID 22721189
4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile
CID 143338014

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile?
The IUPAC name of 4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile (CID 163464520) is 4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile is CCOc1cc(C(O)CC)ncc1C#N.
What is the InChIKey of 4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile?
The InChIKey is BRKBGTUASIRGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-10(14)9-5-11(15-4-2)8(6-12)7-13-9/h5,7,10,14H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile?
4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 163464520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).