dimethylazanium;pyridine-2-carboxylate

C8H12N2O2 — CID 67178639

IUPACdimethylazanium;pyridine-2-carboxylate
SMILESC[NH2+]C.O=C([O-])c1ccccn1
InChIInChI=1S/C6H5NO2.C2H7N/c8-6(9)5-3-1-2-4-7-5;1-3-2/h1-4H,(H,8,9);3H,1-2H3
InChIKeyMMUFWVCXNKBJEM-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.75
Rot. Bonds1

About dimethylazanium;pyridine-2-carboxylate

dimethylazanium;pyridine-2-carboxylate (PubChem CID 67178639) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is dimethylazanium;pyridine-2-carboxylate.

Molecular Properties

Compound Namedimethylazanium;pyridine-2-carboxylate
PubChem CID67178639
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namedimethylazanium;pyridine-2-carboxylate
SMILESC[NH2+]C.O=C([O-])c1ccccn1
InChIInChI=1S/C6H5NO2.C2H7N/c8-6(9)5-3-1-2-4-7-5;1-3-2/h1-4H,(H,8,9);3H,1-2H3
InChIKeyMMUFWVCXNKBJEM-UHFFFAOYSA-N
XLogP-1.75
TPSA69.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

europium(3+);pyridine-2-carboxylate
CID 172810679
CID 101438505
CID 101438505
carbon monoxide;pyridine-2-carboxylate;ruthenium(2+);toluene;bis(triphenylphosphane);chloride
CID 139183207
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
ethane;pyridine-2-carbonyl chloride
CID 158598971
gadolinium;pyridine-2-carboxylic acid
CID 175231422
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
ethane;pyridine-2-carbonyl fluoride
CID 161184414
diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate
CID 46847968
CID 175246691
CID 175246691
pyridine-2-carboxylic acid;tungsten
CID 88770661

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;pyridine-2-carboxylate?
The IUPAC name of dimethylazanium;pyridine-2-carboxylate (CID 67178639) is dimethylazanium;pyridine-2-carboxylate.
What is the SMILES notation for dimethylazanium;pyridine-2-carboxylate?
The canonical SMILES for dimethylazanium;pyridine-2-carboxylate is C[NH2+]C.O=C([O-])c1ccccn1.
What is the InChIKey of dimethylazanium;pyridine-2-carboxylate?
The InChIKey is MMUFWVCXNKBJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C2H7N/c8-6(9)5-3-1-2-4-7-5;1-3-2/h1-4H,(H,8,9);3H,1-2H3.
What are the key properties of dimethylazanium;pyridine-2-carboxylate?
dimethylazanium;pyridine-2-carboxylate has a molecular weight of 168.20 g/mol, XLogP of -1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;pyridine-2-carboxylate is sourced from PubChem (CID 67178639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).