6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

C13H10F5N3 — CID 102717976

IUPAC6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H10F5N3/c14-9-2-1-7(3-10(9)15)6-20-12-5-8(13(16,17)18)4-11(19)21-12/h1-5H,6H2,(H3,19,20,21)
InChIKeyVNYVCEWDDPJZKM-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.57
Rot. Bonds3

About 6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717976) has the molecular formula C13H10F5N3 and a molecular weight of 303.23 g/mol. Its IUPAC name is 6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717976
Molecular FormulaC13H10F5N3
Molecular Weight303.23 g/mol
Exact Mass303.08
IUPAC Name6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H10F5N3/c14-9-2-1-7(3-10(9)15)6-20-12-5-8(13(16,17)18)4-11(19)21-12/h1-5H,6H2,(H3,19,20,21)
InChIKeyVNYVCEWDDPJZKM-UHFFFAOYSA-N
XLogP3.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-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

6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360
4-N-[(3,4-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564540
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
CID 80961888
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
6-N-[(4-chlorophenyl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717237
6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718258
4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80804456
6-N-[(3-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718483

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717976) is 6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is Nc1cc(C(F)(F)F)cc(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is VNYVCEWDDPJZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5N3/c14-9-2-1-7(3-10(9)15)6-20-12-5-8(13(16,17)18)4-11(19)21-12/h1-5H,6H2,(H3,19,20,21).
What are the key properties of 6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 303.23 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).