ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid

C14H16N2O2 — CID 142536082

IUPACethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid
SMILESCC.Cc1ccc(-c2ccccn2)c(C(=O)O)n1
InChIInChI=1S/C12H10N2O2.C2H6/c1-8-5-6-9(11(14-8)12(15)16)10-4-2-3-7-13-10;1-2/h2-7H,1H3,(H,15,16);1-2H3
InChIKeyHBVVOGMXDAQXKW-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.18
Rot. Bonds2

About ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid

ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid (PubChem CID 142536082) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid
PubChem CID142536082
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid
SMILESCC.Cc1ccc(-c2ccccn2)c(C(=O)O)n1
InChIInChI=1S/C12H10N2O2.C2H6/c1-8-5-6-9(11(14-8)12(15)16)10-4-2-3-7-13-10;1-2/h2-7H,1H3,(H,15,16);1-2H3
InChIKeyHBVVOGMXDAQXKW-UHFFFAOYSA-N
XLogP3.18
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-pyridin-2-ylpyridine-2-carboxamide
CID 175992298
2,3-dimethyl-4-pyridin-2-ylbenzoic acid
CID 175747160
3,6-dimethylpyridine-2-carboxylic acid
CID 13209567
6-methyl-4-pyridin-2-ylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82375980
3-hydroxy-2-methyl-5-pyridin-2-ylpyridine-4-carboxylic acid
CID 96600804
3-formyl-6-methylpyridine-2-carboxylic acid
CID 105432557
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 175747170
3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-methylpyridine-2-carboxylic acid
CID 59363682
6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid
CID 67426128
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid
CID 177320141

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid?
The IUPAC name of ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid (CID 142536082) is ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid is CC.Cc1ccc(-c2ccccn2)c(C(=O)O)n1.
What is the InChIKey of ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid?
The InChIKey is HBVVOGMXDAQXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2.C2H6/c1-8-5-6-9(11(14-8)12(15)16)10-4-2-3-7-13-10;1-2/h2-7H,1H3,(H,15,16);1-2H3.
What are the key properties of ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid?
ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 142536082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).