3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine

C12H10ClF2N3 — CID 62615088

IUPAC3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine
SMILESFc1cc(F)cc(CCNc2nccnc2Cl)c1
InChIInChI=1S/C12H10ClF2N3/c13-11-12(18-4-3-16-11)17-2-1-8-5-9(14)7-10(15)6-8/h3-7H,1-2H2,(H,17,18)
InChIKeyCBHPKSZZAUQPTO-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.06
Rot. Bonds4

About 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine

3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine (PubChem CID 62615088) has the molecular formula C12H10ClF2N3 and a molecular weight of 269.68 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine
PubChem CID62615088
Molecular FormulaC12H10ClF2N3
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Name3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine
SMILESFc1cc(F)cc(CCNc2nccnc2Cl)c1
InChIInChI=1S/C12H10ClF2N3/c13-11-12(18-4-3-16-11)17-2-1-8-5-9(14)7-10(15)6-8/h3-7H,1-2H2,(H,17,18)
InChIKeyCBHPKSZZAUQPTO-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine (CID 62615088) is 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine is Fc1cc(F)cc(CCNc2nccnc2Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine?
The InChIKey is CBHPKSZZAUQPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3/c13-11-12(18-4-3-16-11)17-2-1-8-5-9(14)7-10(15)6-8/h3-7H,1-2H2,(H,17,18).
What are the key properties of 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine?
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine has a molecular weight of 269.68 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 62615088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).