2-(propan-2-ylamino)pyridine-3-carboxylic acid

C9H12N2O2 — CID 14739441

IUPAC2-(propan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(C)Nc1ncccc1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6(2)11-8-7(9(12)13)4-3-5-10-8/h3-6H,1-2H3,(H,10,11)(H,12,13)
InChIKeyJCVLLXCQDAXHGN-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.60
Rot. Bonds3

About 2-(propan-2-ylamino)pyridine-3-carboxylic acid

2-(propan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 14739441) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(propan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(propan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID14739441
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(propan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(C)Nc1ncccc1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6(2)11-8-7(9(12)13)4-3-5-10-8/h3-6H,1-2H3,(H,10,11)(H,12,13)
InChIKeyJCVLLXCQDAXHGN-UHFFFAOYSA-N
XLogP1.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Nicotinic Acid
CID 938
Niflumic Acid
CID 4488
Clonixin
CID 28718
Flunixin
CID 38081
2-Aminonicotinic acid
CID 72930
Metanixin
CID 10466908
Nixylic acid
CID 71827
2-(4-Chloro-phenylamino)-nicotinic acid
CID 1432578
Imazapyr-isopropylammonium
CID 62286
Methyl 6-aminonicotinate
CID 737487
6-Aminonicotinic acid
CID 18496
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(propan-2-ylamino)pyridine-3-carboxylic acid (CID 14739441) is 2-(propan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(propan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(propan-2-ylamino)pyridine-3-carboxylic acid is CC(C)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-(propan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is JCVLLXCQDAXHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(2)11-8-7(9(12)13)4-3-5-10-8/h3-6H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(propan-2-ylamino)pyridine-3-carboxylic acid?
2-(propan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 14739441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).