5-cyano-6-methylpyridine-2-carboxylic acid;ethane

C10H12N2O2 — CID 143901939

IUPAC5-cyano-6-methylpyridine-2-carboxylic acid;ethane
SMILESCC.Cc1nc(C(=O)O)ccc1C#N
InChIInChI=1S/C8H6N2O2.C2H6/c1-5-6(4-9)2-3-7(10-5)8(11)12;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeySFTCUYGULMIWOR-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.99
Rot. Bonds1

About 5-cyano-6-methylpyridine-2-carboxylic acid;ethane

5-cyano-6-methylpyridine-2-carboxylic acid;ethane (PubChem CID 143901939) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-cyano-6-methylpyridine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name5-cyano-6-methylpyridine-2-carboxylic acid;ethane
PubChem CID143901939
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-cyano-6-methylpyridine-2-carboxylic acid;ethane
SMILESCC.Cc1nc(C(=O)O)ccc1C#N
InChIInChI=1S/C8H6N2O2.C2H6/c1-5-6(4-9)2-3-7(10-5)8(11)12;1-2/h2-3H,1H3,(H,11,12);1-2H3
InChIKeySFTCUYGULMIWOR-UHFFFAOYSA-N
XLogP1.99
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium (5-cyano-6-methylpyridine-2-carbonyl)azanide
CID 171818248
2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid
CID 60829216
propyl 5-cyano-6-methylpyridine-2-carboxylate
CID 112727103
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465318
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119112051
2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284162
1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117621
6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid
CID 43352877
1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449689
3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid
CID 62822089

Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-methylpyridine-2-carboxylic acid;ethane?
The IUPAC name of 5-cyano-6-methylpyridine-2-carboxylic acid;ethane (CID 143901939) is 5-cyano-6-methylpyridine-2-carboxylic acid;ethane.
What is the SMILES notation for 5-cyano-6-methylpyridine-2-carboxylic acid;ethane?
The canonical SMILES for 5-cyano-6-methylpyridine-2-carboxylic acid;ethane is CC.Cc1nc(C(=O)O)ccc1C#N.
What is the InChIKey of 5-cyano-6-methylpyridine-2-carboxylic acid;ethane?
The InChIKey is SFTCUYGULMIWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.C2H6/c1-5-6(4-9)2-3-7(10-5)8(11)12;1-2/h2-3H,1H3,(H,11,12);1-2H3.
What are the key properties of 5-cyano-6-methylpyridine-2-carboxylic acid;ethane?
5-cyano-6-methylpyridine-2-carboxylic acid;ethane has a molecular weight of 192.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-methylpyridine-2-carboxylic acid;ethane is sourced from PubChem (CID 143901939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).