5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine

C11H8BrF2N3 — CID 61228857

IUPAC5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H8BrF2N3/c12-6-3-10(15)11(16-5-6)17-7-1-2-8(13)9(14)4-7/h1-5H,15H2,(H,16,17)
InChIKeyDQAOBQIAICYEPQ-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.45
Rot. Bonds2

About 5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine

5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine (PubChem CID 61228857) has the molecular formula C11H8BrF2N3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine
PubChem CID61228857
Molecular FormulaC11H8BrF2N3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H8BrF2N3/c12-6-3-10(15)11(16-5-6)17-7-1-2-8(13)9(14)4-7/h1-5H,15H2,(H,16,17)
InChIKeyDQAOBQIAICYEPQ-UHFFFAOYSA-N
XLogP3.45
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine
CID 61227501
5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine
CID 55188251
5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
CID 54954909
3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine
CID 106948962
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
6-bromo-4-N-(3,4-difluorophenyl)quinoline-3,4-diamine
CID 43621240
5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid
CID 113452425
5-bromo-2-hydrazinylpyridin-3-amine
CID 139593186
3,5-dibromo-N-(3-fluoro-4-methoxyphenyl)pyridin-2-amine
CID 113413794
5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine (CID 61228857) is 5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine is Nc1cc(Br)cnc1Nc1ccc(F)c(F)c1.
What is the InChIKey of 5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine?
The InChIKey is DQAOBQIAICYEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3/c12-6-3-10(15)11(16-5-6)17-7-1-2-8(13)9(14)4-7/h1-5H,15H2,(H,16,17).
What are the key properties of 5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine?
5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine has a molecular weight of 300.11 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine is sourced from PubChem (CID 61228857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).