3-(3-chloro-5-fluorophenyl)pyrazin-2-amine

C10H7ClFN3 — CID 115504800

IUPAC3-(3-chloro-5-fluorophenyl)pyrazin-2-amine
SMILESNc1nccnc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H7ClFN3/c11-7-3-6(4-8(12)5-7)9-10(13)15-2-1-14-9/h1-5H,(H2,13,15)
InChIKeyAEBXCWBPMIKLOB-UHFFFAOYSA-N
MW223.64 g/mol
LogP2.52
Rot. Bonds1

About 3-(3-chloro-5-fluorophenyl)pyrazin-2-amine

3-(3-chloro-5-fluorophenyl)pyrazin-2-amine (PubChem CID 115504800) has the molecular formula C10H7ClFN3 and a molecular weight of 223.64 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)pyrazin-2-amine
PubChem CID115504800
Molecular FormulaC10H7ClFN3
Molecular Weight223.64 g/mol
Exact Mass223.03
IUPAC Name3-(3-chloro-5-fluorophenyl)pyrazin-2-amine
SMILESNc1nccnc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H7ClFN3/c11-7-3-6(4-8(12)5-7)9-10(13)15-2-1-14-9/h1-5H,(H2,13,15)
InChIKeyAEBXCWBPMIKLOB-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.64
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine
CID 115504839
5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine
CID 175669976
4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine
CID 114454482
6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
CID 113324874
2-(3-chloro-5-fluorophenyl)-4-fluoropyridine
CID 102824538
2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
CID 116795301
2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 115504863
6-(3-chloro-5-fluorophenyl)pyridin-2-amine
CID 115504598
4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine
CID 24902118
2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine
CID 79691462
3-(2-chloro-6-fluorophenyl)pyrazin-2-amine
CID 112559171
3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine
CID 115504711

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorophenyl)pyrazin-2-amine?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)pyrazin-2-amine (CID 115504800) is 3-(3-chloro-5-fluorophenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)pyrazin-2-amine?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)pyrazin-2-amine is Nc1nccnc1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)pyrazin-2-amine?
The InChIKey is AEBXCWBPMIKLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3/c11-7-3-6(4-8(12)5-7)9-10(13)15-2-1-14-9/h1-5H,(H2,13,15).
What are the key properties of 3-(3-chloro-5-fluorophenyl)pyrazin-2-amine?
3-(3-chloro-5-fluorophenyl)pyrazin-2-amine has a molecular weight of 223.64 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorophenyl)pyrazin-2-amine is sourced from PubChem (CID 115504800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).