5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile

C18H11ClFN3O — CID 122539648

IUPAC5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(OCc2cncc(Cl)c2)cn1
InChIInChI=1S/C18H11ClFN3O/c19-14-5-12(8-22-9-14)11-24-18-10-23-16(7-21)6-17(18)13-1-3-15(20)4-2-13/h1-6,8-10H,11H2
InChIKeyLRQDPWRVPHGRAB-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.39
Rot. Bonds4

About 5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile

5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile (PubChem CID 122539648) has the molecular formula C18H11ClFN3O and a molecular weight of 339.76 g/mol. Its IUPAC name is 5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile
PubChem CID122539648
Molecular FormulaC18H11ClFN3O
Molecular Weight339.76 g/mol
Exact Mass339.06
IUPAC Name5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(OCc2cncc(Cl)c2)cn1
InChIInChI=1S/C18H11ClFN3O/c19-14-5-12(8-22-9-14)11-24-18-10-23-16(7-21)6-17(18)13-1-3-15(20)4-2-13/h1-6,8-10H,11H2
InChIKeyLRQDPWRVPHGRAB-UHFFFAOYSA-N
XLogP4.39
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile?
The IUPAC name of 5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile (CID 122539648) is 5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(F)cc2)c(OCc2cncc(Cl)c2)cn1.
What is the InChIKey of 5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile?
The InChIKey is LRQDPWRVPHGRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O/c19-14-5-12(8-22-9-14)11-24-18-10-23-16(7-21)6-17(18)13-1-3-15(20)4-2-13/h1-6,8-10H,11H2.
What are the key properties of 5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile?
5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile has a molecular weight of 339.76 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 122539648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).