4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine

C11H11ClFN3S — CID 67613240

IUPAC4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine
SMILESCSc1c(C)c(-c2nccc(Cl)c2F)nn1C
InChIInChI=1S/C11H11ClFN3S/c1-6-9(15-16(2)11(6)17-3)10-8(13)7(12)4-5-14-10/h4-5H,1-3H3
InChIKeyGMWYHWOZFLTTAW-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.30
Rot. Bonds2

About 4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine

4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine (PubChem CID 67613240) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine.

Molecular Properties

Compound Name4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine
PubChem CID67613240
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine
SMILESCSc1c(C)c(-c2nccc(Cl)c2F)nn1C
InChIInChI=1S/C11H11ClFN3S/c1-6-9(15-16(2)11(6)17-3)10-8(13)7(12)4-5-14-10/h4-5H,1-3H3
InChIKeyGMWYHWOZFLTTAW-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine?
The IUPAC name of 4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine (CID 67613240) is 4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine.
What is the SMILES notation for 4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine?
The canonical SMILES for 4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine is CSc1c(C)c(-c2nccc(Cl)c2F)nn1C.
What is the InChIKey of 4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine?
The InChIKey is GMWYHWOZFLTTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-6-9(15-16(2)11(6)17-3)10-8(13)7(12)4-5-14-10/h4-5H,1-3H3.
What are the key properties of 4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine?
4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine has a molecular weight of 271.75 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,4-dimethyl-5-methylsulfanylpyrazol-3-yl)-3-fluoropyridine is sourced from PubChem (CID 67613240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).