5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

C18H13ClFN3O2 — CID 122539712

IUPAC5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCc2ccc(Cl)nc2)cn1
InChIInChI=1S/C18H13ClFN3O2/c19-17-6-1-11(8-23-17)10-25-16-9-22-15(18(21)24)7-14(16)12-2-4-13(20)5-3-12/h1-9H,10H2,(H2,21,24)
InChIKeyCEXVTZJWJYYGLZ-UHFFFAOYSA-N
MW357.77 g/mol
LogP3.61
Rot. Bonds5

About 5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 122539712) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID122539712
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCc2ccc(Cl)nc2)cn1
InChIInChI=1S/C18H13ClFN3O2/c19-17-6-1-11(8-23-17)10-25-16-9-22-15(18(21)24)7-14(16)12-2-4-13(20)5-3-12/h1-9H,10H2,(H2,21,24)
InChIKeyCEXVTZJWJYYGLZ-UHFFFAOYSA-N
XLogP3.61
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (CID 122539712) is 5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(OCc2ccc(Cl)nc2)cn1.
What is the InChIKey of 5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is CEXVTZJWJYYGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c19-17-6-1-11(8-23-17)10-25-16-9-22-15(18(21)24)7-14(16)12-2-4-13(20)5-3-12/h1-9H,10H2,(H2,21,24).
What are the key properties of 5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 357.77 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122539712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).