4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine

C12H11F2N3 — CID 113367849

IUPAC4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine
SMILESNc1cc(NCc2cc(F)ccc2F)ccn1
InChIInChI=1S/C12H11F2N3/c13-9-1-2-11(14)8(5-9)7-17-10-3-4-16-12(15)6-10/h1-6H,7H2,(H3,15,16,17)
InChIKeyCZKYRLONAJVLPQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.55
Rot. Bonds3

About 4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine

4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine (PubChem CID 113367849) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine
PubChem CID113367849
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine
SMILESNc1cc(NCc2cc(F)ccc2F)ccn1
InChIInChI=1S/C12H11F2N3/c13-9-1-2-11(14)8(5-9)7-17-10-3-4-16-12(15)6-10/h1-6H,7H2,(H3,15,16,17)
InChIKeyCZKYRLONAJVLPQ-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2,4-diamine
CID 113368317
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866
5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
CID 104534685
2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine
CID 63795498
N-[(2,5-difluorophenyl)methyl]quinolin-6-amine
CID 62634585
N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline
CID 43312594
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 43312508
N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
CID 133492320
1-[2-amino-4-[(2,5-difluorophenyl)methylamino]phenyl]ethanone
CID 104528863
4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
CID 62228128
6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113379891

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine?
The IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine (CID 113367849) is 4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine is Nc1cc(NCc2cc(F)ccc2F)ccn1.
What is the InChIKey of 4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine?
The InChIKey is CZKYRLONAJVLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c13-9-1-2-11(14)8(5-9)7-17-10-3-4-16-12(15)6-10/h1-6H,7H2,(H3,15,16,17).
What are the key properties of 4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine?
4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine has a molecular weight of 235.24 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 113367849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).