6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid

C10H11F3N2O2 — CID 131865190

IUPAC6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCC(C)Nc1nc(C(=O)O)ccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-5(2)14-8-6(10(11,12)13)3-4-7(15-8)9(16)17/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyKEFQEODKCPATOJ-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.62
Rot. Bonds3

About 6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid

6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 131865190) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID131865190
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCC(C)Nc1nc(C(=O)O)ccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-5(2)14-8-6(10(11,12)13)3-4-7(15-8)9(16)17/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyKEFQEODKCPATOJ-UHFFFAOYSA-N
XLogP2.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553189
2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 90093440
ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 144752640
5-amino-6-(3-ethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 114406677
2-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 9158574
5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid
CID 114406825
6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid
CID 122047939
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973
5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089872
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109574
6-hydrazinyl-5-methylpyridine-2-carboxylic acid
CID 138629654
5-amino-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 82610184

Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 131865190) is 6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid is CC(C)Nc1nc(C(=O)O)ccc1C(F)(F)F.
What is the InChIKey of 6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is KEFQEODKCPATOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5(2)14-8-6(10(11,12)13)3-4-7(15-8)9(16)17/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 131865190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).