6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid

C7H8ClN3O2 — CID 86037536

IUPAC6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid
SMILESCN(C)c1ncc(Cl)nc1C(=O)O
InChIInChI=1S/C7H8ClN3O2/c1-11(2)6-5(7(12)13)10-4(8)3-9-6/h3H,1-2H3,(H,12,13)
InChIKeyIHJMEFTUGKKKQL-UHFFFAOYSA-N
MW201.61 g/mol
LogP0.89
Rot. Bonds2

About 6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid

6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid (PubChem CID 86037536) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid
PubChem CID86037536
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid
SMILESCN(C)c1ncc(Cl)nc1C(=O)O
InChIInChI=1S/C7H8ClN3O2/c1-11(2)6-5(7(12)13)10-4(8)3-9-6/h3H,1-2H3,(H,12,13)
InChIKeyIHJMEFTUGKKKQL-UHFFFAOYSA-N
XLogP0.89
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-chloropyrazine-2-carboxylic acid
CID 53418769
6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-3-(dimethylamino)pyrazine-2-carboxylic acid
CID 170542884
3-(dimethylamino)-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 3-(dimethylamino)-6-(4-methylphenyl)pyrazine-2-carboxylate
CID 162205619
5-chloro-3-ethyl-N,N-dimethylpyrazine-2-carboxamide
CID 142792962
2-(4-chlorophenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169246
bis(3,5-dichloropyrazin-2-yl)methanone
CID 174592625
6-chloro-3-propan-2-ylpyridine-2-carboxylic acid
CID 84721154
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride
CID 155338745
5-chloro-2-(2-methylsulfanylpropan-2-yl)pyrimidine-4-carboxylic acid
CID 130985028
6-amino-3-chloropyrazine-2-carboxylic acid
CID 91873832
2-chloro-5-fluoropyrimidine-4-carboxylic acid
CID 71700034

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid (CID 86037536) is 6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid is CN(C)c1ncc(Cl)nc1C(=O)O.
What is the InChIKey of 6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid?
The InChIKey is IHJMEFTUGKKKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-11(2)6-5(7(12)13)10-4(8)3-9-6/h3H,1-2H3,(H,12,13).
What are the key properties of 6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid?
6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid has a molecular weight of 201.61 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(dimethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 86037536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).