3-propoxypyridine-4-carbonitrile

C9H10N2O — CID 19432765

IUPAC3-propoxypyridine-4-carbonitrile
SMILESCCCOc1cnccc1C#N
InChIInChI=1S/C9H10N2O/c1-2-5-12-9-7-11-4-3-8(9)6-10/h3-4,7H,2,5H2,1H3
InChIKeyMABRLRTXICMIDX-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.74
Rot. Bonds3

About 3-propoxypyridine-4-carbonitrile

3-propoxypyridine-4-carbonitrile (PubChem CID 19432765) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-propoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-propoxypyridine-4-carbonitrile
PubChem CID19432765
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-propoxypyridine-4-carbonitrile
SMILESCCCOc1cnccc1C#N
InChIInChI=1S/C9H10N2O/c1-2-5-12-9-7-11-4-3-8(9)6-10/h3-4,7H,2,5H2,1H3
InChIKeyMABRLRTXICMIDX-UHFFFAOYSA-N
XLogP1.74
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile
CID 114287930
3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
CID 114287980
3-butan-2-yloxypyridine-4-carbonitrile
CID 19432811
3-ethoxy-4-propoxypyridine
CID 90961233
4-chloro-3-propoxypyridine
CID 91927090
3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
CID 126954496
2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
CID 70050897
3-propan-2-yloxypyridine-4-carbonitrile
CID 91623739
3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile
CID 113269444
3-(difluoromethoxy)pyridine-4-carbonitrile
CID 131231725
3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile
CID 114287943
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157

Frequently Asked Questions

What is the IUPAC name of 3-propoxypyridine-4-carbonitrile?
The IUPAC name of 3-propoxypyridine-4-carbonitrile (CID 19432765) is 3-propoxypyridine-4-carbonitrile.
What is the SMILES notation for 3-propoxypyridine-4-carbonitrile?
The canonical SMILES for 3-propoxypyridine-4-carbonitrile is CCCOc1cnccc1C#N.
What is the InChIKey of 3-propoxypyridine-4-carbonitrile?
The InChIKey is MABRLRTXICMIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-5-12-9-7-11-4-3-8(9)6-10/h3-4,7H,2,5H2,1H3.
What are the key properties of 3-propoxypyridine-4-carbonitrile?
3-propoxypyridine-4-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxypyridine-4-carbonitrile is sourced from PubChem (CID 19432765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).