2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine

C10H12ClF2N3 — CID 129498626

IUPAC2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine
SMILESFC(F)[C@H]1CCCN(c2nccnc2Cl)C1
InChIInChI=1S/C10H12ClF2N3/c11-8-10(15-4-3-14-8)16-5-1-2-7(6-16)9(12)13/h3-4,7,9H,1-2,5-6H2/t7-/m0/s1
InChIKeyQIGYLRQHNSWUEQ-ZETCQYMHSA-N
MW247.68 g/mol
LogP2.61
Rot. Bonds2

About 2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine

2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine (PubChem CID 129498626) has the molecular formula C10H12ClF2N3 and a molecular weight of 247.68 g/mol. Its IUPAC name is 2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine
PubChem CID129498626
Molecular FormulaC10H12ClF2N3
Molecular Weight247.68 g/mol
Exact Mass247.07
IUPAC Name2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine
SMILESFC(F)[C@H]1CCCN(c2nccnc2Cl)C1
InChIInChI=1S/C10H12ClF2N3/c11-8-10(15-4-3-14-8)16-5-1-2-7(6-16)9(12)13/h3-4,7,9H,1-2,5-6H2/t7-/m0/s1
InChIKeyQIGYLRQHNSWUEQ-ZETCQYMHSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine (CID 129498626) is 2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine is FC(F)[C@H]1CCCN(c2nccnc2Cl)C1.
What is the InChIKey of 2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine?
The InChIKey is QIGYLRQHNSWUEQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12ClF2N3/c11-8-10(15-4-3-14-8)16-5-1-2-7(6-16)9(12)13/h3-4,7,9H,1-2,5-6H2/t7-/m0/s1.
What are the key properties of 2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine?
2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine has a molecular weight of 247.68 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 129498626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).