3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine

C10H14F3N3 — CID 28818128

IUPAC3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCC(C)(C)Nc1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C10H14F3N3/c1-9(2,3)16-7-4-6(10(11,12)13)5-15-8(7)14/h4-5,16H,1-3H3,(H2,14,15)
InChIKeyYFQOSIJBXHLXIL-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.89
Rot. Bonds1

About 3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine

3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 28818128) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID28818128
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCC(C)(C)Nc1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C10H14F3N3/c1-9(2,3)16-7-4-6(10(11,12)13)5-15-8(7)14/h4-5,16H,1-3H3,(H2,14,15)
InChIKeyYFQOSIJBXHLXIL-UHFFFAOYSA-N
XLogP2.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine
CID 98622752
5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine
CID 174640637
3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818162
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818176
3-N-(4-pyrrolidin-1-ylbutyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818192
2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-4-chlorophenol
CID 28847177
4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide
CID 28846992
3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28847110
3-N-(4-phenoxyphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28847148
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156850074
3-ethynyl-5-(trifluoromethyl)pyridin-2-amine
CID 30772124
3-butyl-5-(trifluoromethyl)pyridin-2-amine
CID 150650764

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine (CID 28818128) is 3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine is CC(C)(C)Nc1cc(C(F)(F)F)cnc1N.
What is the InChIKey of 3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is YFQOSIJBXHLXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-9(2,3)16-7-4-6(10(11,12)13)5-15-8(7)14/h4-5,16H,1-3H3,(H2,14,15).
What are the key properties of 3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine?
3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 233.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 28818128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).