6-methyl-2-nitrosopyridine-3-carboxylic acid

C7H6N2O3 — CID 88758213

IUPAC6-methyl-2-nitrosopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N=O)n1
InChIInChI=1S/C7H6N2O3/c1-4-2-3-5(7(10)11)6(8-4)9-12/h2-3H,1H3,(H,10,11)
InChIKeyDVLIVNQJENDRTB-UHFFFAOYSA-N
MW166.14 g/mol
LogP1.49
Rot. Bonds2

About 6-methyl-2-nitrosopyridine-3-carboxylic acid

6-methyl-2-nitrosopyridine-3-carboxylic acid (PubChem CID 88758213) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is 6-methyl-2-nitrosopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-nitrosopyridine-3-carboxylic acid
PubChem CID88758213
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name6-methyl-2-nitrosopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N=O)n1
InChIInChI=1S/C7H6N2O3/c1-4-2-3-5(7(10)11)6(8-4)9-12/h2-3H,1H3,(H,10,11)
InChIKeyDVLIVNQJENDRTB-UHFFFAOYSA-N
XLogP1.49
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-6-methylpyridine-3-carboxylic acid
CID 18320650
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
2-(iodomethyl)-6-methylpyridine-3-carboxylic acid
CID 89343867
2,5-dimethylquinoline-6-carboxylic acid
CID 156863593
3,6-dimethylpyridine-2-carboxylic acid
CID 13209567
8-amino-2-methylquinoline-7-carboxylic acid
CID 62953271
2-tert-butylsulfanyl-6-methylpyridine-3-carboxylic acid
CID 62701421
2-(4,4-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 62930201
2-(carboxymethylsulfanyl)-6-methylpyridine-3-carboxylic acid
CID 15732980
6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62701810
2,3-dimethylterephthalic acid
CID 158313107
6-methyl-2-propoxypyridine-3-carboxylic acid
CID 62702426

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-nitrosopyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-nitrosopyridine-3-carboxylic acid (CID 88758213) is 6-methyl-2-nitrosopyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-nitrosopyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-nitrosopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N=O)n1.
What is the InChIKey of 6-methyl-2-nitrosopyridine-3-carboxylic acid?
The InChIKey is DVLIVNQJENDRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c1-4-2-3-5(7(10)11)6(8-4)9-12/h2-3H,1H3,(H,10,11).
What are the key properties of 6-methyl-2-nitrosopyridine-3-carboxylic acid?
6-methyl-2-nitrosopyridine-3-carboxylic acid has a molecular weight of 166.14 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-nitrosopyridine-3-carboxylic acid is sourced from PubChem (CID 88758213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).