4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine

C13H13FIN3 — CID 66099878

IUPAC4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
SMILESCN(Cc1cccnc1)c1cc(F)c(I)cc1N
InChIInChI=1S/C13H13FIN3/c1-18(8-9-3-2-4-17-7-9)13-5-10(14)11(15)6-12(13)16/h2-7H,8,16H2,1H3
InChIKeyVZFQDMHNNZIUEZ-UHFFFAOYSA-N
MW357.17 g/mol
LogP3.04
Rot. Bonds3

About 4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine

4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine (PubChem CID 66099878) has the molecular formula C13H13FIN3 and a molecular weight of 357.17 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
PubChem CID66099878
Molecular FormulaC13H13FIN3
Molecular Weight357.17 g/mol
Exact Mass357.01
IUPAC Name4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
SMILESCN(Cc1cccnc1)c1cc(F)c(I)cc1N
InChIInChI=1S/C13H13FIN3/c1-18(8-9-3-2-4-17-7-9)13-5-10(14)11(15)6-12(13)16/h2-7H,8,16H2,1H3
InChIKeyVZFQDMHNNZIUEZ-UHFFFAOYSA-N
XLogP3.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-5-methoxy-1-N-methyl-1-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 55215876
6-N-methyl-6-N-(pyridin-3-ylmethyl)-1H-indazole-5,6-diamine
CID 107488961
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917
5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
CID 43563386
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934994
3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 43658182
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563584
2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 78911103
2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine
CID 66102264
1-N-benzyl-4-chloro-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66079317
2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
CID 66278201

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine (CID 66099878) is 4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine is CN(Cc1cccnc1)c1cc(F)c(I)cc1N.
What is the InChIKey of 4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine?
The InChIKey is VZFQDMHNNZIUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FIN3/c1-18(8-9-3-2-4-17-7-9)13-5-10(14)11(15)6-12(13)16/h2-7H,8,16H2,1H3.
What are the key properties of 4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine has a molecular weight of 357.17 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 66099878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).