4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine

C11H13ClF2N2O — CID 174170107

IUPAC4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine
SMILESCN1CCC(Oc2cc(Cl)cc(C(F)F)n2)C1
InChIInChI=1S/C11H13ClF2N2O/c1-16-3-2-8(6-16)17-10-5-7(12)4-9(15-10)11(13)14/h4-5,8,11H,2-3,6H2,1H3
InChIKeyBKJQNMJHUCZVFK-UHFFFAOYSA-N
MW262.69 g/mol
LogP2.76
Rot. Bonds3

About 4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine

4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine (PubChem CID 174170107) has the molecular formula C11H13ClF2N2O and a molecular weight of 262.69 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine
PubChem CID174170107
Molecular FormulaC11H13ClF2N2O
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Name4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine
SMILESCN1CCC(Oc2cc(Cl)cc(C(F)F)n2)C1
InChIInChI=1S/C11H13ClF2N2O/c1-16-3-2-8(6-16)17-10-5-7(12)4-9(15-10)11(13)14/h4-5,8,11H,2-3,6H2,1H3
InChIKeyBKJQNMJHUCZVFK-UHFFFAOYSA-N
XLogP2.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine?
The IUPAC name of 4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine (CID 174170107) is 4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine is CN1CCC(Oc2cc(Cl)cc(C(F)F)n2)C1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine?
The InChIKey is BKJQNMJHUCZVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O/c1-16-3-2-8(6-16)17-10-5-7(12)4-9(15-10)11(13)14/h4-5,8,11H,2-3,6H2,1H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine?
4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine has a molecular weight of 262.69 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-6-(1-methylpyrrolidin-3-yl)oxypyridine is sourced from PubChem (CID 174170107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).