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

C11H8BrClFN3 — CID 54954909

IUPAC5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H8BrClFN3/c12-6-3-9(15)11(16-5-6)17-10-2-1-7(13)4-8(10)14/h1-5H,15H2,(H,16,17)
InChIKeyMYZITKYJDSSLQR-UHFFFAOYSA-N
MW316.56 g/mol
LogP3.96
Rot. Bonds2

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

5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine (PubChem CID 54954909) has the molecular formula C11H8BrClFN3 and a molecular weight of 316.56 g/mol. Its IUPAC name is 5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
PubChem CID54954909
Molecular FormulaC11H8BrClFN3
Molecular Weight316.56 g/mol
Exact Mass314.96
IUPAC Name5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H8BrClFN3/c12-6-3-9(15)11(16-5-6)17-10-2-1-7(13)4-8(10)14/h1-5H,15H2,(H,16,17)
InChIKeyMYZITKYJDSSLQR-UHFFFAOYSA-N
XLogP3.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 53.96
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-difluorophenyl)pyridine-2,3-diamine
CID 61228857
2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine
CID 66278195
5-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)pyridin-2-amine
CID 103583157
5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine
CID 103583411
5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine
CID 55188251
3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine
CID 106949035
5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine
CID 61228858
2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine
CID 114001533
2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine
CID 116783085
4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787260
4-N-(4-bromo-2-fluorophenyl)-6-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152905

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine (CID 54954909) is 5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine is Nc1cc(Br)cnc1Nc1ccc(Cl)cc1F.
What is the InChIKey of 5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine?
The InChIKey is MYZITKYJDSSLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3/c12-6-3-9(15)11(16-5-6)17-10-2-1-7(13)4-8(10)14/h1-5H,15H2,(H,16,17).
What are the key properties of 5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine?
5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine has a molecular weight of 316.56 g/mol, XLogP of 3.96, 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-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine is sourced from PubChem (CID 54954909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).