5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine

C12H11F2N3 — CID 54965666

IUPAC5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
SMILESNc1ccc(NCc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H11F2N3/c13-10-3-1-8(5-11(10)14)6-16-9-2-4-12(15)17-7-9/h1-5,7,16H,6H2,(H2,15,17)
InChIKeyBTQKGBMKIVIRFY-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.55
Rot. Bonds3

About 5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine

5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine (PubChem CID 54965666) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
PubChem CID54965666
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
SMILESNc1ccc(NCc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H11F2N3/c13-10-3-1-8(5-11(10)14)6-16-9-2-4-12(15)17-7-9/h1-5,7,16H,6H2,(H2,15,17)
InChIKeyBTQKGBMKIVIRFY-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

5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 115490715
N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine
CID 55070897
[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol
CID 107231807
[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
CID 43744882
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344
N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline
CID 43722402
N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943832
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
N-[(3,4-difluorophenyl)methyl]-4-nitroaniline
CID 43425353
5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103360175

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine (CID 54965666) is 5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine is Nc1ccc(NCc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine?
The InChIKey is BTQKGBMKIVIRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c13-10-3-1-8(5-11(10)14)6-16-9-2-4-12(15)17-7-9/h1-5,7,16H,6H2,(H2,15,17).
What are the key properties of 5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine?
5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-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 5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 54965666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).