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

C11H8BrF2N3 — CID 79532373

IUPAC3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine
SMILESNc1cnc(Nc2cccc(F)c2F)c(Br)c1
InChIInChI=1S/C11H8BrF2N3/c12-7-4-6(15)5-16-11(7)17-9-3-1-2-8(13)10(9)14/h1-5H,15H2,(H,16,17)
InChIKeyUWNFQMLMAVJBDI-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.45
Rot. Bonds2

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

3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine (PubChem CID 79532373) has the molecular formula C11H8BrF2N3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine
PubChem CID79532373
Molecular FormulaC11H8BrF2N3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine
SMILESNc1cnc(Nc2cccc(F)c2F)c(Br)c1
InChIInChI=1S/C11H8BrF2N3/c12-7-4-6(15)5-16-11(7)17-9-3-1-2-8(13)10(9)14/h1-5H,15H2,(H,16,17)
InChIKeyUWNFQMLMAVJBDI-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

3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine
CID 114254112
3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine
CID 107643323
1-N-(2,3-difluorophenyl)-2,6-difluorobenzene-1,4-diamine
CID 61076599
3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 79532378
N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 107013249
3-bromo-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,5-diamine
CID 79532026
3-bromo-2-N-(2-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 79534385
5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid
CID 114261298
3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine
CID 79532623
1-[3-[(5-amino-3-bromo-2-pyridinyl)amino]phenyl]ethanone
CID 93208856
2-[(5-amino-3-bromo-2-pyridinyl)amino]-5-(trifluoromethyl)benzonitrile
CID 115910961
4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107638778

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine (CID 79532373) is 3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine is Nc1cnc(Nc2cccc(F)c2F)c(Br)c1.
What is the InChIKey of 3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine?
The InChIKey is UWNFQMLMAVJBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3/c12-7-4-6(15)5-16-11(7)17-9-3-1-2-8(13)10(9)14/h1-5H,15H2,(H,16,17).
What are the key properties of 3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine?
3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-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 3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 79532373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).