6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid

C12H7N5O2 — CID 112595037

IUPAC6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(-n2cnc(C#N)c2C#N)ccc1C(=O)O
InChIInChI=1S/C12H7N5O2/c1-7-8(12(18)19)2-3-11(16-7)17-6-15-9(4-13)10(17)5-14/h2-3,6H,1H3,(H,18,19)
InChIKeyUKBSNZDNNCRGSV-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.02
Rot. Bonds2

About 6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid

6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid (PubChem CID 112595037) has the molecular formula C12H7N5O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid
PubChem CID112595037
Molecular FormulaC12H7N5O2
Molecular Weight253.22 g/mol
Exact Mass253.06
IUPAC Name6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(-n2cnc(C#N)c2C#N)ccc1C(=O)O
InChIInChI=1S/C12H7N5O2/c1-7-8(12(18)19)2-3-11(16-7)17-6-15-9(4-13)10(17)5-14/h2-3,6H,1H3,(H,18,19)
InChIKeyUKBSNZDNNCRGSV-UHFFFAOYSA-N
XLogP1.02
TPSA115.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-dicyanoimidazol-1-yl)-4-methoxybenzoic acid
CID 115944951
2-amino-5-(4,5-dicyanoimidazol-1-yl)benzoic acid
CID 112595309
2-amino-3-(4,5-dicyanoimidazol-1-yl)benzoic acid
CID 112595307
2-(4,5-dicyanoimidazol-1-yl)-4-nitrobenzoic acid
CID 115944688
methyl 4-(4,5-dicyanoimidazol-1-yl)-6-methylpyrimidine-2-carboxylate
CID 115945061
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
6-(azepan-1-yl)-2-methylpyridine-3-carboxylic acid
CID 79886015
1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile
CID 112595850
4-(4,5-dicyanoimidazol-1-yl)-3-fluorobenzoic acid
CID 112595426
4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide
CID 115944574
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 137008265
2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 102744196

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid (CID 112595037) is 6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid is Cc1nc(-n2cnc(C#N)c2C#N)ccc1C(=O)O.
What is the InChIKey of 6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is UKBSNZDNNCRGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5O2/c1-7-8(12(18)19)2-3-11(16-7)17-6-15-9(4-13)10(17)5-14/h2-3,6H,1H3,(H,18,19).
What are the key properties of 6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid?
6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 112595037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).