3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine

C7H6F5N3 — CID 119006850

IUPAC3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESNc1ncc(C(F)(F)F)c(N)c1C(F)F
InChIInChI=1S/C7H6F5N3/c8-5(9)3-4(13)2(7(10,11)12)1-15-6(3)14/h1,5H,(H4,13,14,15)
InChIKeyPQTITCVFUHDLMH-UHFFFAOYSA-N
MW227.14 g/mol
LogP2.20
Rot. Bonds1

About 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine

3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 119006850) has the molecular formula C7H6F5N3 and a molecular weight of 227.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID119006850
Molecular FormulaC7H6F5N3
Molecular Weight227.14 g/mol
Exact Mass227.05
IUPAC Name3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESNc1ncc(C(F)(F)F)c(N)c1C(F)F
InChIInChI=1S/C7H6F5N3/c8-5(9)3-4(13)2(7(10,11)12)1-15-6(3)14/h1,5H,(H4,13,14,15)
InChIKeyPQTITCVFUHDLMH-UHFFFAOYSA-N
XLogP2.20
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 130102000
2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol
CID 118993704
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119011225
3-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-2-amine
CID 119010486
2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118812030
2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118990891
methyl 4-amino-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134685827
2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine
CID 118812353
ethyl 2-[2-amino-3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134663948
3-(difluoromethyl)-5-methoxypyridine-2,4-diamine
CID 119019295
3-(difluoromethyl)-5-methyl-2-(trifluoromethyl)pyridin-4-amine
CID 118806773
5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)pyridin-4-amine
CID 118829110

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine (CID 119006850) is 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine is Nc1ncc(C(F)(F)F)c(N)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is PQTITCVFUHDLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F5N3/c8-5(9)3-4(13)2(7(10,11)12)1-15-6(3)14/h1,5H,(H4,13,14,15).
What are the key properties of 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 227.14 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 119006850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).