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

C10H8ClFN4 — CID 80652778

IUPAC2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine
SMILESNc1cnc(Nc2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C10H8ClFN4/c11-7-2-1-6(3-8(7)12)16-10-5-14-9(13)4-15-10/h1-5H,(H2,13,14)(H,15,16)
InChIKeyBGZFYKJYQKPJNU-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.59
Rot. Bonds2

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

2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine (PubChem CID 80652778) has the molecular formula C10H8ClFN4 and a molecular weight of 238.65 g/mol. Its IUPAC name is 2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine
PubChem CID80652778
Molecular FormulaC10H8ClFN4
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Name2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine
SMILESNc1cnc(Nc2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C10H8ClFN4/c11-7-2-1-6(3-8(7)12)16-10-5-14-9(13)4-15-10/h1-5H,(H2,13,14)(H,15,16)
InChIKeyBGZFYKJYQKPJNU-UHFFFAOYSA-N
XLogP2.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 61467027
2-N-(2,5-dichlorophenyl)pyrazine-2,5-diamine
CID 80652884
4-N-(4-chloro-3-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771194
3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 79532378
2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine
CID 80652758
1-N-(4-chloro-3-fluorophenyl)-2,6-difluorobenzene-1,4-diamine
CID 54955427
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
4-chloro-1-N-(4-chloro-3-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 66077226
6-amino-N-(4-chloro-3-fluorophenyl)pyridine-3-sulfonamide
CID 62151485
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
8-chloro-5-fluoroisoquinolin-3-amine
CID 53419050
(4-chloro-3-fluorophenyl)hydrazine
CID 53413991

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine (CID 80652778) is 2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine is Nc1cnc(Nc2ccc(Cl)c(F)c2)cn1.
What is the InChIKey of 2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine?
The InChIKey is BGZFYKJYQKPJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4/c11-7-2-1-6(3-8(7)12)16-10-5-14-9(13)4-15-10/h1-5H,(H2,13,14)(H,15,16).
What are the key properties of 2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine?
2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine has a molecular weight of 238.65 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine is sourced from PubChem (CID 80652778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).