1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine

C10H13ClFN3 — CID 86720933

IUPAC1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine
SMILESCN1CCN(c2c(F)cncc2Cl)CC1
InChIInChI=1S/C10H13ClFN3/c1-14-2-4-15(5-3-14)10-8(11)6-13-7-9(10)12/h6-7H,2-5H2,1H3
InChIKeyOPIUTTQTGLMIKN-UHFFFAOYSA-N
MW229.69 g/mol
LogP1.63
Rot. Bonds1

About 1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine

1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine (PubChem CID 86720933) has the molecular formula C10H13ClFN3 and a molecular weight of 229.69 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine
PubChem CID86720933
Molecular FormulaC10H13ClFN3
Molecular Weight229.69 g/mol
Exact Mass229.08
IUPAC Name1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine
SMILESCN1CCN(c2c(F)cncc2Cl)CC1
InChIInChI=1S/C10H13ClFN3/c1-14-2-4-15(5-3-14)10-8(11)6-13-7-9(10)12/h6-7H,2-5H2,1H3
InChIKeyOPIUTTQTGLMIKN-UHFFFAOYSA-N
XLogP1.63
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-3,5-dichloropyridine
CID 89888
1-(3-Chloropyridin-4-yl)piperazine
CID 11651319
1-(3,5-Dichloropyridin-4-yl)piperazine
CID 2799984
4-Amino-2,3,5-trichloropyridine
CID 728676
(1-(3,5-Dichloropyridin-4-yl)piperidin-4-yl)methanamine
CID 45275783
3,5-Dichloro-4-piperidin-1-ylpyridine
CID 101493931
1-(2-Chloropyridin-4-yl)piperazine
CID 21274462
2-Chloro-5-fluoropyridin-4-amine
CID 22284035
1-(5-Chloropyridin-3-yl)-4-methylpiperazine
CID 22478583
2-Chloro-4-(piperidin-1-yl)pyridine
CID 53217413
3-Chloro-5-fluoropyridin-4-amine
CID 53485487
3-Chloro-5-iodo-4-pyridinamine
CID 60145706

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine?
The IUPAC name of 1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine (CID 86720933) is 1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine is CN1CCN(c2c(F)cncc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine?
The InChIKey is OPIUTTQTGLMIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3/c1-14-2-4-15(5-3-14)10-8(11)6-13-7-9(10)12/h6-7H,2-5H2,1H3.
What are the key properties of 1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine?
1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine has a molecular weight of 229.69 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-4-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 86720933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).