1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine

C10H12ClF2N3 — CID 75176262

IUPAC1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)c1cc(N2CCNCC2)ncc1Cl
InChIInChI=1S/C10H12ClF2N3/c11-8-6-15-9(5-7(8)10(12)13)16-3-1-14-2-4-16/h5-6,10,14H,1-4H2
InChIKeyYUJNUNUYEORSDZ-UHFFFAOYSA-N
MW247.68 g/mol
LogP2.08
Rot. Bonds2

About 1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine

1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine (PubChem CID 75176262) has the molecular formula C10H12ClF2N3 and a molecular weight of 247.68 g/mol. Its IUPAC name is 1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine
PubChem CID75176262
Molecular FormulaC10H12ClF2N3
Molecular Weight247.68 g/mol
Exact Mass247.07
IUPAC Name1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)c1cc(N2CCNCC2)ncc1Cl
InChIInChI=1S/C10H12ClF2N3/c11-8-6-15-9(5-7(8)10(12)13)16-3-1-14-2-4-16/h5-6,10,14H,1-4H2
InChIKeyYUJNUNUYEORSDZ-UHFFFAOYSA-N
XLogP2.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine (CID 75176262) is 1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine is FC(F)c1cc(N2CCNCC2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is YUJNUNUYEORSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N3/c11-8-6-15-9(5-7(8)10(12)13)16-3-1-14-2-4-16/h5-6,10,14H,1-4H2.
What are the key properties of 1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine?
1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 247.68 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(difluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 75176262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).