6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine

C12H10Cl2FN3 — CID 133305089

IUPAC6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine
SMILESCC(Nc1cncc(Cl)n1)c1ccc(F)cc1Cl
InChIInChI=1S/C12H10Cl2FN3/c1-7(9-3-2-8(15)4-10(9)13)17-12-6-16-5-11(14)18-12/h2-7H,1H3,(H,17,18)
InChIKeyOLOAFUXJVASDMT-UHFFFAOYSA-N
MW286.14 g/mol
LogP4.10
Rot. Bonds3

About 6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine

6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine (PubChem CID 133305089) has the molecular formula C12H10Cl2FN3 and a molecular weight of 286.14 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine
PubChem CID133305089
Molecular FormulaC12H10Cl2FN3
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine
SMILESCC(Nc1cncc(Cl)n1)c1ccc(F)cc1Cl
InChIInChI=1S/C12H10Cl2FN3/c1-7(9-3-2-8(15)4-10(9)13)17-12-6-16-5-11(14)18-12/h2-7H,1H3,(H,17,18)
InChIKeyOLOAFUXJVASDMT-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
CID 80646859
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43766019
2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688
2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802030
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine
CID 107530585
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
N-[(1S)-1-(4-bromophenyl)ethyl]-6-chloropyrazin-2-amine
CID 58934266
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine
CID 43780295

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine (CID 133305089) is 6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine is CC(Nc1cncc(Cl)n1)c1ccc(F)cc1Cl.
What is the InChIKey of 6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine?
The InChIKey is OLOAFUXJVASDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3/c1-7(9-3-2-8(15)4-10(9)13)17-12-6-16-5-11(14)18-12/h2-7H,1H3,(H,17,18).
What are the key properties of 6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine?
6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine has a molecular weight of 286.14 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 133305089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).