6-(difluoromethyl)-5-fluoropyridine-2,4-diamine

C6H6F3N3 — CID 118805803

IUPAC6-(difluoromethyl)-5-fluoropyridine-2,4-diamine
SMILESNc1cc(N)c(F)c(C(F)F)n1
InChIInChI=1S/C6H6F3N3/c7-4-2(10)1-3(11)12-5(4)6(8)9/h1,6H,(H4,10,11,12)
InChIKeyZECYZKNRWSSISP-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.32
Rot. Bonds1

About 6-(difluoromethyl)-5-fluoropyridine-2,4-diamine

6-(difluoromethyl)-5-fluoropyridine-2,4-diamine (PubChem CID 118805803) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoropyridine-2,4-diamine.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoropyridine-2,4-diamine
PubChem CID118805803
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name6-(difluoromethyl)-5-fluoropyridine-2,4-diamine
SMILESNc1cc(N)c(F)c(C(F)F)n1
InChIInChI=1S/C6H6F3N3/c7-4-2(10)1-3(11)12-5(4)6(8)9/h1,6H,(H4,10,11,12)
InChIKeyZECYZKNRWSSISP-UHFFFAOYSA-N
XLogP1.32
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-(difluoromethyl)-3-fluoropyridine-4-carboxylic acid
CID 130104246
4-amino-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 118811846
6-(difluoromethyl)-5-iodo-4-methylpyridin-2-amine
CID 130105196
6-(difluoromethyl)pyridine-2,5-diamine
CID 119004812
2-(difluoromethyl)-6-fluoropyridine-3,5-diamine
CID 130098608
4-bromo-6-(difluoromethyl)-5-methylpyridin-2-amine
CID 130101783
6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2,5-diamine
CID 134672254
6-(difluoromethyl)-5-fluoropyridine-2,3-diamine
CID 130098596
6-(difluoromethyl)-2,5-difluoropyridin-3-amine
CID 130099529
6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 130105521
ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate
CID 134684313
6-(difluoromethyl)-5-methoxy-4-methylpyridin-2-amine
CID 130105821

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoropyridine-2,4-diamine?
The IUPAC name of 6-(difluoromethyl)-5-fluoropyridine-2,4-diamine (CID 118805803) is 6-(difluoromethyl)-5-fluoropyridine-2,4-diamine.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoropyridine-2,4-diamine?
The canonical SMILES for 6-(difluoromethyl)-5-fluoropyridine-2,4-diamine is Nc1cc(N)c(F)c(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-5-fluoropyridine-2,4-diamine?
The InChIKey is ZECYZKNRWSSISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c7-4-2(10)1-3(11)12-5(4)6(8)9/h1,6H,(H4,10,11,12).
What are the key properties of 6-(difluoromethyl)-5-fluoropyridine-2,4-diamine?
6-(difluoromethyl)-5-fluoropyridine-2,4-diamine has a molecular weight of 177.13 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-fluoropyridine-2,4-diamine is sourced from PubChem (CID 118805803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).