5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine

C11H9ClFN3O — CID 91800292

IUPAC5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine
SMILESCOc1c(Cl)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C11H9ClFN3O/c1-17-11-7(12)3-2-6(10(11)13)8-4-16-9(14)5-15-8/h2-5H,1H3,(H2,14,16)
InChIKeyPCCZMEYAEBELMU-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.53
Rot. Bonds2

About 5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine

5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine (PubChem CID 91800292) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine
PubChem CID91800292
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine
SMILESCOc1c(Cl)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C11H9ClFN3O/c1-17-11-7(12)3-2-6(10(11)13)8-4-16-9(14)5-15-8/h2-5H,1H3,(H2,14,16)
InChIKeyPCCZMEYAEBELMU-UHFFFAOYSA-N
XLogP2.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine?
The IUPAC name of 5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine (CID 91800292) is 5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine is COc1c(Cl)ccc(-c2cnc(N)cn2)c1F.
What is the InChIKey of 5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine?
The InChIKey is PCCZMEYAEBELMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-17-11-7(12)3-2-6(10(11)13)8-4-16-9(14)5-15-8/h2-5H,1H3,(H2,14,16).
What are the key properties of 5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine?
5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine has a molecular weight of 253.66 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluoro-3-methoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 91800292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).