3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine

C12H12FN3 — CID 115127057

IUPAC3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine
SMILESCN(c1cccnc1)c1cccc(F)c1N
InChIInChI=1S/C12H12FN3/c1-16(9-4-3-7-15-8-9)11-6-2-5-10(13)12(11)14/h2-8H,14H2,1H3
InChIKeyLHRUKNXDYZRKGU-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.57
Rot. Bonds2

About 3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine

3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine (PubChem CID 115127057) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine
PubChem CID115127057
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine
SMILESCN(c1cccnc1)c1cccc(F)c1N
InChIInChI=1S/C12H12FN3/c1-16(9-4-3-7-15-8-9)11-6-2-5-10(13)12(11)14/h2-8H,14H2,1H3
InChIKeyLHRUKNXDYZRKGU-UHFFFAOYSA-N
XLogP2.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-1-N-methyl-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 115127058
methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate
CID 113333029
1-N-(3,5-dimethylphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 62002994
3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115127044
1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127036
3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine
CID 115127029
1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127062
3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine
CID 104778478
2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid
CID 138490291
N-methyl-N-(2-nitrophenyl)pyridin-3-amine
CID 121011639
2-fluoro-6-(pyridin-3-ylmethyl)aniline
CID 105454246
N,N-dimethylpyridin-3-amine;hydrochloride
CID 23028557

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine (CID 115127057) is 3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine is CN(c1cccnc1)c1cccc(F)c1N.
What is the InChIKey of 3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine?
The InChIKey is LHRUKNXDYZRKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-16(9-4-3-7-15-8-9)11-6-2-5-10(13)12(11)14/h2-8H,14H2,1H3.
What are the key properties of 3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine?
3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine has a molecular weight of 217.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine is sourced from PubChem (CID 115127057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).