6-aminopyridine-3-carboxylic acid;ethane

C8H12N2O2 — CID 142242146

IUPAC6-aminopyridine-3-carboxylic acid;ethane
SMILESCC.Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C6H6N2O2.C2H6/c7-5-2-1-4(3-8-5)6(9)10;1-2/h1-3H,(H2,7,8)(H,9,10);1-2H3
InChIKeyRMXDXKHRCGOTQS-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.39
Rot. Bonds1

About 6-aminopyridine-3-carboxylic acid;ethane

6-aminopyridine-3-carboxylic acid;ethane (PubChem CID 142242146) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-aminopyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name6-aminopyridine-3-carboxylic acid;ethane
PubChem CID142242146
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-aminopyridine-3-carboxylic acid;ethane
SMILESCC.Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C6H6N2O2.C2H6/c7-5-2-1-4(3-8-5)6(9)10;1-2/h1-3H,(H2,7,8)(H,9,10);1-2H3
InChIKeyRMXDXKHRCGOTQS-UHFFFAOYSA-N
XLogP1.39
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
CID 86641079
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
pyridine-2,5-dicarboxylic acid
CID 158970171
6-amino-N-butan-2-ylpyridine-3-carboxamide
CID 62072773
5-but-2-en-2-ylpyridin-2-amine
CID 67493264
6-acetylpyridine-3-carboxylic acid
CID 22323784
6-amino-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 62154358
methyl 3-(6-amino-3-pyridinyl)-3-oxopropanoate
CID 98011582
2-aminopyrimidine-5-carboxylic acid
CID 7020367
6-amino-N-methyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
CID 63962079
N-(4-acetamidophenyl)-6-aminopyridine-3-carboxamide
CID 110861506

Frequently Asked Questions

What is the IUPAC name of 6-aminopyridine-3-carboxylic acid;ethane?
The IUPAC name of 6-aminopyridine-3-carboxylic acid;ethane (CID 142242146) is 6-aminopyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 6-aminopyridine-3-carboxylic acid;ethane?
The canonical SMILES for 6-aminopyridine-3-carboxylic acid;ethane is CC.Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-aminopyridine-3-carboxylic acid;ethane?
The InChIKey is RMXDXKHRCGOTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.C2H6/c7-5-2-1-4(3-8-5)6(9)10;1-2/h1-3H,(H2,7,8)(H,9,10);1-2H3.
What are the key properties of 6-aminopyridine-3-carboxylic acid;ethane?
6-aminopyridine-3-carboxylic acid;ethane has a molecular weight of 168.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminopyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 142242146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).