6-(1,1-difluoroethyl)pyridine-3,4-diamine

C7H9F2N3 — CID 142460928

IUPAC6-(1,1-difluoroethyl)pyridine-3,4-diamine
SMILESCC(F)(F)c1cc(N)c(N)cn1
InChIInChI=1S/C7H9F2N3/c1-7(8,9)6-2-4(10)5(11)3-12-6/h2-3H,11H2,1H3,(H2,10,12)
InChIKeyDNOHXSQJEIMXKU-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.36
Rot. Bonds1

About 6-(1,1-difluoroethyl)pyridine-3,4-diamine

6-(1,1-difluoroethyl)pyridine-3,4-diamine (PubChem CID 142460928) has the molecular formula C7H9F2N3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)pyridine-3,4-diamine
PubChem CID142460928
Molecular FormulaC7H9F2N3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name6-(1,1-difluoroethyl)pyridine-3,4-diamine
SMILESCC(F)(F)c1cc(N)c(N)cn1
InChIInChI=1S/C7H9F2N3/c1-7(8,9)6-2-4(10)5(11)3-12-6/h2-3H,11H2,1H3,(H2,10,12)
InChIKeyDNOHXSQJEIMXKU-UHFFFAOYSA-N
XLogP1.36
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(1,1-difluoroethyl)pyridine-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-difluoroethyl)-5-methoxypyridin-4-amine
CID 174718248
6-(1,1-difluoroethyl)pyridin-3-amine
CID 84716660
2-tert-butyl-5-fluoropyridin-4-amine
CID 155709241
5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine
CID 59218632
5-bromo-2-(1,1-difluoroethyl)pyridine
CID 118395151
4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747410
6-methylpyridine-3,4-diamine
CID 19890743
4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine
CID 170041657
4-(1,1-difluoroethyl)-6-methylpyrimidine
CID 121391476
6-methylpyridine-3,4-diamine;dihydrochloride
CID 70700317
2-(1,1-difluoroethyl)quinolin-4-amine
CID 170616673
methyl 5-amino-2-[6-(1,1-difluoroethyl)-3-pyridinyl]benzoate
CID 138678384

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)pyridine-3,4-diamine?
The IUPAC name of 6-(1,1-difluoroethyl)pyridine-3,4-diamine (CID 142460928) is 6-(1,1-difluoroethyl)pyridine-3,4-diamine.
What is the SMILES notation for 6-(1,1-difluoroethyl)pyridine-3,4-diamine?
The canonical SMILES for 6-(1,1-difluoroethyl)pyridine-3,4-diamine is CC(F)(F)c1cc(N)c(N)cn1.
What is the InChIKey of 6-(1,1-difluoroethyl)pyridine-3,4-diamine?
The InChIKey is DNOHXSQJEIMXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3/c1-7(8,9)6-2-4(10)5(11)3-12-6/h2-3H,11H2,1H3,(H2,10,12).
What are the key properties of 6-(1,1-difluoroethyl)pyridine-3,4-diamine?
6-(1,1-difluoroethyl)pyridine-3,4-diamine has a molecular weight of 173.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)pyridine-3,4-diamine is sourced from PubChem (CID 142460928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).