6-Aminonicotinic acid

C6H6N2O2 — CID 18496

IUPAC6-aminopyridine-3-carboxylic acid
SMILESC1=CC(=NC=C1C(=O)O)N
InChIInChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChIKeyZCIFWRHIEBXBOY-UHFFFAOYSA-N
MW138.12 g/mol
LogP1.40
Rot. Bonds1

About 6-Aminonicotinic acid

6-Aminonicotinic acid (PubChem CID 18496) has the molecular formula C6H6N2O2 and a molecular weight of 138.12 g/mol. Its IUPAC name is 6-aminopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-Aminonicotinic acid
PubChem CID18496
Molecular FormulaC6H6N2O2
Molecular Weight138.12 g/mol
Exact Mass138.04
IUPAC Name6-aminopyridine-3-carboxylic acid
SMILESC1=CC(=NC=C1C(=O)O)N
InChIInChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChIKeyZCIFWRHIEBXBOY-UHFFFAOYSA-N
XLogP1.40
TPSA76.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity138

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Nicotinic Acid
CID 938
Trigonelline
CID 5570
6-Chloronicotinic acid
CID 79222
Niflumic Acid
CID 4488
6-Aminonicotinamide
CID 9500
Oxiniacic Acid
CID 16976
2-Chloronicotinic acid
CID 76258
2-Aminonicotinic acid
CID 72930
5-Fluoronicotinic Acid
CID 120232
Nicotinate
CID 937
3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-
CID 2777549
3,5-Pyridinedicarboxylic acid
CID 10366

Frequently Asked Questions

What is the IUPAC name of 6-Aminonicotinic acid?
The IUPAC name of 6-Aminonicotinic acid (CID 18496) is 6-aminopyridine-3-carboxylic acid.
What is the SMILES notation for 6-Aminonicotinic acid?
The canonical SMILES for 6-Aminonicotinic acid is C1=CC(=NC=C1C(=O)O)N.
What is the InChIKey of 6-Aminonicotinic acid?
The InChIKey is ZCIFWRHIEBXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10).
What are the key properties of 6-Aminonicotinic acid?
6-Aminonicotinic acid has a molecular weight of 138.12 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Aminonicotinic acid is sourced from PubChem (CID 18496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).