1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine

C13H19ClFN3 — CID 139405266

IUPAC1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine
SMILESCc1cc(N2C(C)CN(C)CC2C)nc(F)c1Cl
InChIInChI=1S/C13H19ClFN3/c1-8-5-11(16-13(15)12(8)14)18-9(2)6-17(4)7-10(18)3/h5,9-10H,6-7H2,1-4H3
InChIKeyWHERWYRNQNRCFY-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.71
Rot. Bonds1

About 1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine

1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine (PubChem CID 139405266) has the molecular formula C13H19ClFN3 and a molecular weight of 271.77 g/mol. Its IUPAC name is 1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine
PubChem CID139405266
Molecular FormulaC13H19ClFN3
Molecular Weight271.77 g/mol
Exact Mass271.13
IUPAC Name1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine
SMILESCc1cc(N2C(C)CN(C)CC2C)nc(F)c1Cl
InChIInChI=1S/C13H19ClFN3/c1-8-5-11(16-13(15)12(8)14)18-9(2)6-17(4)7-10(18)3/h5,9-10H,6-7H2,1-4H3
InChIKeyWHERWYRNQNRCFY-UHFFFAOYSA-N
XLogP2.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine
CID 139405262
1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine
CID 139405281
[3-chloro-6-(2,4-dimethylpiperazin-1-yl)-2-fluoro-4-pyridinyl]carbamic acid
CID 155227649
3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine
CID 139391098
5-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121205987
3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine
CID 139405504
13-chloro-11-fluoro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene
CID 167707156
3-chloro-2-fluoro-6-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-amine
CID 139405533
3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine
CID 139405267
3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine
CID 130099205
1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine
CID 155227612
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80735813

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine?
The IUPAC name of 1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine (CID 139405266) is 1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine.
What is the SMILES notation for 1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine?
The canonical SMILES for 1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine is Cc1cc(N2C(C)CN(C)CC2C)nc(F)c1Cl.
What is the InChIKey of 1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine?
The InChIKey is WHERWYRNQNRCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN3/c1-8-5-11(16-13(15)12(8)14)18-9(2)6-17(4)7-10(18)3/h5,9-10H,6-7H2,1-4H3.
What are the key properties of 1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine?
1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine has a molecular weight of 271.77 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine is sourced from PubChem (CID 139405266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).