ethane;4-methoxy-6-methylpyridine-3-carbonitrile

C10H14N2O — CID 145106388

IUPACethane;4-methoxy-6-methylpyridine-3-carbonitrile
SMILESCC.COc1cc(C)ncc1C#N
InChIInChI=1S/C8H8N2O.C2H6/c1-6-3-8(11-2)7(4-9)5-10-6;1-2/h3,5H,1-2H3;1-2H3
InChIKeyBDFQMBDUJXQZQM-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.30
Rot. Bonds1

About ethane;4-methoxy-6-methylpyridine-3-carbonitrile

ethane;4-methoxy-6-methylpyridine-3-carbonitrile (PubChem CID 145106388) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is ethane;4-methoxy-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Nameethane;4-methoxy-6-methylpyridine-3-carbonitrile
PubChem CID145106388
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Nameethane;4-methoxy-6-methylpyridine-3-carbonitrile
SMILESCC.COc1cc(C)ncc1C#N
InChIInChI=1S/C8H8N2O.C2H6/c1-6-3-8(11-2)7(4-9)5-10-6;1-2/h3,5H,1-2H3;1-2H3
InChIKeyBDFQMBDUJXQZQM-UHFFFAOYSA-N
XLogP2.30
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-4-methoxypyridine-3-carbonitrile
CID 82403915
4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 82114912
5-amino-2-methylpyridine-4-carbonitrile
CID 82593829
1-chloro-6,7-dimethoxyisoquinoline-4-carbonitrile
CID 87574214
7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile
CID 59849538
ethane;2-methyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 142280419
1-(4-methoxy-6-methyl-3-pyridinyl)-N-methylmethanamine
CID 81254703
4-(diethylamino)-6-methylpyridine-3-carbonitrile
CID 82375941
5-methoxy-2-methylpyridin-4-amine
CID 59938080
2,5-dimethoxy-3,4-dimethylbenzonitrile
CID 117282326
4-methoxy-5,6-dimethylpyridine-3-carbonitrile
CID 163496494
4-amino-2-methoxy-5-methylbenzonitrile
CID 23068192

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-6-methylpyridine-3-carbonitrile?
The IUPAC name of ethane;4-methoxy-6-methylpyridine-3-carbonitrile (CID 145106388) is ethane;4-methoxy-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for ethane;4-methoxy-6-methylpyridine-3-carbonitrile?
The canonical SMILES for ethane;4-methoxy-6-methylpyridine-3-carbonitrile is CC.COc1cc(C)ncc1C#N.
What is the InChIKey of ethane;4-methoxy-6-methylpyridine-3-carbonitrile?
The InChIKey is BDFQMBDUJXQZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C2H6/c1-6-3-8(11-2)7(4-9)5-10-6;1-2/h3,5H,1-2H3;1-2H3.
What are the key properties of ethane;4-methoxy-6-methylpyridine-3-carbonitrile?
ethane;4-methoxy-6-methylpyridine-3-carbonitrile has a molecular weight of 178.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 145106388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).