3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine

C11H9ClFN3 — CID 105396110

IUPAC3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine
SMILESCNc1nccnc1-c1cc(F)ccc1Cl
InChIInChI=1S/C11H9ClFN3/c1-14-11-10(15-4-5-16-11)8-6-7(13)2-3-9(8)12/h2-6H,1H3,(H,14,16)
InChIKeyKIRODRUNQNWNSX-UHFFFAOYSA-N
MW237.67 g/mol
LogP2.98
Rot. Bonds2

About 3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine

3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine (PubChem CID 105396110) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine
PubChem CID105396110
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine
SMILESCNc1nccnc1-c1cc(F)ccc1Cl
InChIInChI=1S/C11H9ClFN3/c1-14-11-10(15-4-5-16-11)8-6-7(13)2-3-9(8)12/h2-6H,1H3,(H,14,16)
InChIKeyKIRODRUNQNWNSX-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-(2-chloro-5-fluorophenyl)-N-methylpyridin-2-amine
CID 102754069
2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine
CID 102825056
3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine
CID 82810797
6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 105396085
6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 105396086
2-chloro-4-(2-chloro-5-fluorophenyl)-5-fluoropyrimidine
CID 105396029
3,5-dichloro-6-(4-fluoro-2-methylphenyl)-N-methylpyridin-2-amine
CID 102753048
6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine
CID 113324935
4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 105396018
4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136770511
1-[5-(2-chloro-5-fluorophenyl)-2H-triazol-4-yl]ethanone
CID 82372901
3-(2-ethylphenyl)-N-methylpyrazin-2-amine
CID 112559190

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine (CID 105396110) is 3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine is CNc1nccnc1-c1cc(F)ccc1Cl.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine?
The InChIKey is KIRODRUNQNWNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c1-14-11-10(15-4-5-16-11)8-6-7(13)2-3-9(8)12/h2-6H,1H3,(H,14,16).
What are the key properties of 3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine?
3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine has a molecular weight of 237.67 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 105396110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).