6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine

C11H8ClF2N3 — CID 62047650

IUPAC6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine
SMILESFc1ccc(CNc2cncc(Cl)n2)c(F)c1
InChIInChI=1S/C11H8ClF2N3/c12-10-5-15-6-11(17-10)16-4-7-1-2-8(13)3-9(7)14/h1-3,5-6H,4H2,(H,16,17)
InChIKeyVHOCZYSSAOLQAF-UHFFFAOYSA-N
MW255.66 g/mol
LogP3.02
Rot. Bonds3

About 6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine

6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine (PubChem CID 62047650) has the molecular formula C11H8ClF2N3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine
PubChem CID62047650
Molecular FormulaC11H8ClF2N3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine
SMILESFc1ccc(CNc2cncc(Cl)n2)c(F)c1
InChIInChI=1S/C11H8ClF2N3/c12-10-5-15-6-11(17-10)16-4-7-1-2-8(13)3-9(7)14/h1-3,5-6H,4H2,(H,16,17)
InChIKeyVHOCZYSSAOLQAF-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(6-chloropyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 133346590
methyl 2-chloro-6-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carboxylate
CID 89350854
N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine
CID 133468470
2-chloro-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 104821040
N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine
CID 133471001
6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine
CID 107530585
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
CID 47370335
2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 79073279
3,5-dichloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107572844
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
methyl 4-[(2,4-difluorophenyl)methylamino]pyrimidine-2-carboxylate
CID 66285457
2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 113456932

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine (CID 62047650) is 6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine is Fc1ccc(CNc2cncc(Cl)n2)c(F)c1.
What is the InChIKey of 6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine?
The InChIKey is VHOCZYSSAOLQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3/c12-10-5-15-6-11(17-10)16-4-7-1-2-8(13)3-9(7)14/h1-3,5-6H,4H2,(H,16,17).
What are the key properties of 6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine?
6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine has a molecular weight of 255.66 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 62047650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).