3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine

C13H13BrFN3 — CID 79534994

IUPAC3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine
SMILESCCN(c1cccc(F)c1)c1ncc(N)cc1Br
InChIInChI=1S/C13H13BrFN3/c1-2-18(11-5-3-4-9(15)6-11)13-12(14)7-10(16)8-17-13/h3-8H,2,16H2,1H3
InChIKeyBLMMEVXLPUJMIR-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.72
Rot. Bonds3

About 3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine

3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine (PubChem CID 79534994) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine
PubChem CID79534994
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine
SMILESCCN(c1cccc(F)c1)c1ncc(N)cc1Br
InChIInChI=1S/C13H13BrFN3/c1-2-18(11-5-3-4-9(15)6-11)13-12(14)7-10(16)8-17-13/h3-8H,2,16H2,1H3
InChIKeyBLMMEVXLPUJMIR-UHFFFAOYSA-N
XLogP3.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine
CID 102985857
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CID 115474017
N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine
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CID 115992583
5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile
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2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
CID 102750868
[2-(N-ethyl-3-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
CID 105383018
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CID 80511154
1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone
CID 83118884
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CID 106947935

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine (CID 79534994) is 3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine is CCN(c1cccc(F)c1)c1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine?
The InChIKey is BLMMEVXLPUJMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-2-18(11-5-3-4-9(15)6-11)13-12(14)7-10(16)8-17-13/h3-8H,2,16H2,1H3.
What are the key properties of 3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine?
3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine has a molecular weight of 310.17 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 79534994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).