pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C9H12F3N3O2 — CID 158875352

IUPACpyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(N)=O)C(F)(F)F.Nc1ccccn1
InChIInChI=1S/C5H6N2.C4H6F3NO2/c6-5-3-1-2-4-7-5;1-3(10,2(8)9)4(5,6)7/h1-4H,(H2,6,7);10H,1H3,(H2,8,9)
InChIKeyJCJBBRMPAHGNNA-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.45
Rot. Bonds1

About pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 158875352) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Namepyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID158875352
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Namepyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(N)=O)C(F)(F)F.Nc1ccccn1
InChIInChI=1S/C5H6N2.C4H6F3NO2/c6-5-3-1-2-4-7-5;1-3(10,2(8)9)4(5,6)7/h1-4H,(H2,6,7);10H,1H3,(H2,8,9)
InChIKeyJCJBBRMPAHGNNA-UHFFFAOYSA-N
XLogP0.45
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
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CID 67998308
copper pyridin-2-amine
CID 54608459
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CID 174788262
ethanol;pyridin-2-amine
CID 69424063
2-(2,2-dimethylpropyl)-4,4-dimethyl-2-pyridin-2-ylpentanamide
CID 3054960
fluoroform;pyridin-2-amine
CID 174867537
benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine
CID 175305816
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
prop-1-ene;bis(pyridin-2-amine)
CID 19911264

Frequently Asked Questions

What is the IUPAC name of pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 158875352) is pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(N)=O)C(F)(F)F.Nc1ccccn1.
What is the InChIKey of pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is JCJBBRMPAHGNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C4H6F3NO2/c6-5-3-1-2-4-7-5;1-3(10,2(8)9)4(5,6)7/h1-4H,(H2,6,7);10H,1H3,(H2,8,9).
What are the key properties of pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 251.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 158875352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).