6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine

C12H11ClFN3 — CID 105396176

IUPAC6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H11ClFN3/c1-2-16-12-7-15-6-11(17-12)9-5-8(14)3-4-10(9)13/h3-7H,2H2,1H3,(H,16,17)
InChIKeyRDDNIJYKPMFFTL-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.37
Rot. Bonds3

About 6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine

6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine (PubChem CID 105396176) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine
PubChem CID105396176
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H11ClFN3/c1-2-16-12-7-15-6-11(17-12)9-5-8(14)3-4-10(9)13/h3-7H,2H2,1H3,(H,16,17)
InChIKeyRDDNIJYKPMFFTL-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 105396158
N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine
CID 113324952
6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine
CID 67980486
N-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 102754120
N-ethyl-6-(2-methylthiophen-3-yl)pyrazin-2-amine
CID 102838556
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80757277
6,7-dichloro-N-ethylquinoxalin-2-amine
CID 133462663
N-ethyl-6-(5-methyl-3-pyridinyl)pyrazin-2-amine
CID 115375558
4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine
CID 105395993
6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 105396085
6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine
CID 114734823

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine?
The IUPAC name of 6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine (CID 105396176) is 6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine.
What is the SMILES notation for 6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine?
The canonical SMILES for 6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine is CCNc1cncc(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine?
The InChIKey is RDDNIJYKPMFFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-2-16-12-7-15-6-11(17-12)9-5-8(14)3-4-10(9)13/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine?
6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine has a molecular weight of 251.69 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine is sourced from PubChem (CID 105396176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).