2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine

C16H15ClF2N2O — CID 56718178

IUPAC2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine
SMILESFc1cccnc1Oc1cc(F)c(CN2CCCC2)c(Cl)c1
InChIInChI=1S/C16H15ClF2N2O/c17-13-8-11(22-16-14(18)4-3-5-20-16)9-15(19)12(13)10-21-6-1-2-7-21/h3-5,8-9H,1-2,6-7,10H2
InChIKeyOQLKOYXLMDTURL-UHFFFAOYSA-N
MW324.76 g/mol
LogP4.40
Rot. Bonds4

About 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine

2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine (PubChem CID 56718178) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine.

Molecular Properties

Compound Name2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine
PubChem CID56718178
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC Name2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine
SMILESFc1cccnc1Oc1cc(F)c(CN2CCCC2)c(Cl)c1
InChIInChI=1S/C16H15ClF2N2O/c17-13-8-11(22-16-14(18)4-3-5-20-16)9-15(19)12(13)10-21-6-1-2-7-21/h3-5,8-9H,1-2,6-7,10H2
InChIKeyOQLKOYXLMDTURL-UHFFFAOYSA-N
XLogP4.40
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine?
The IUPAC name of 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine (CID 56718178) is 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine.
What is the SMILES notation for 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine?
The canonical SMILES for 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine is Fc1cccnc1Oc1cc(F)c(CN2CCCC2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine?
The InChIKey is OQLKOYXLMDTURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O/c17-13-8-11(22-16-14(18)4-3-5-20-16)9-15(19)12(13)10-21-6-1-2-7-21/h3-5,8-9H,1-2,6-7,10H2.
What are the key properties of 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine?
2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine has a molecular weight of 324.76 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-fluoropyridine is sourced from PubChem (CID 56718178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).