5-chloro-3-(difluoromethyl)pyrazin-2-amine

C5H4ClF2N3 — CID 118609708

IUPAC5-chloro-3-(difluoromethyl)pyrazin-2-amine
SMILESNc1ncc(Cl)nc1C(F)F
InChIInChI=1S/C5H4ClF2N3/c6-2-1-10-5(9)3(11-2)4(7)8/h1,4H,(H2,9,10)
InChIKeyCICYQDJOPRTGRI-UHFFFAOYSA-N
MW179.56 g/mol
LogP1.65
Rot. Bonds1

About 5-chloro-3-(difluoromethyl)pyrazin-2-amine

5-chloro-3-(difluoromethyl)pyrazin-2-amine (PubChem CID 118609708) has the molecular formula C5H4ClF2N3 and a molecular weight of 179.56 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)pyrazin-2-amine
PubChem CID118609708
Molecular FormulaC5H4ClF2N3
Molecular Weight179.56 g/mol
Exact Mass179.01
IUPAC Name5-chloro-3-(difluoromethyl)pyrazin-2-amine
SMILESNc1ncc(Cl)nc1C(F)F
InChIInChI=1S/C5H4ClF2N3/c6-2-1-10-5(9)3(11-2)4(7)8/h1,4H,(H2,9,10)
InChIKeyCICYQDJOPRTGRI-UHFFFAOYSA-N
XLogP1.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.56
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-methylpyrazin-2-amine
CID 53424289
6-chloro-3-(trifluoromethyl)pyrazin-2-amine
CID 134818825
4-(aminomethyl)-6-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130102649
4,5-dichloro-3-(difluoromethyl)pyridin-2-amine
CID 119024495
5-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130094579
[6-chloro-2-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095492
6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-3-fluoropyridin-2-amine
CID 178073535
3-bromo-5-chloro-6-(difluoromethyl)pyridin-2-amine
CID 119012391
5-amino-4-chloro-2-(difluoromethyl)pyridin-3-ol
CID 130102480
3,4-dibromo-6-chloro-2-(difluoromethyl)pyridine
CID 130098856
3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099341
5-chloro-3-[2-(4-fluorophenyl)ethynyl]pyrazin-2-amine
CID 166105026

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)pyrazin-2-amine?
The IUPAC name of 5-chloro-3-(difluoromethyl)pyrazin-2-amine (CID 118609708) is 5-chloro-3-(difluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)pyrazin-2-amine?
The canonical SMILES for 5-chloro-3-(difluoromethyl)pyrazin-2-amine is Nc1ncc(Cl)nc1C(F)F.
What is the InChIKey of 5-chloro-3-(difluoromethyl)pyrazin-2-amine?
The InChIKey is CICYQDJOPRTGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2N3/c6-2-1-10-5(9)3(11-2)4(7)8/h1,4H,(H2,9,10).
What are the key properties of 5-chloro-3-(difluoromethyl)pyrazin-2-amine?
5-chloro-3-(difluoromethyl)pyrazin-2-amine has a molecular weight of 179.56 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 118609708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).