6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide

C16H10ClFN4O2 — CID 58337754

IUPAC6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(Cl)n1
InChIInChI=1S/C16H10ClFN4O2/c17-15-3-1-2-14(22-15)16(23)21-11-4-10(18)5-12(6-11)24-13-7-19-9-20-8-13/h1-9H,(H,21,23)
InChIKeyXFIZUOOZDZCUTJ-UHFFFAOYSA-N
MW344.73 g/mol
LogP3.71
Rot. Bonds4

About 6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide

6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 58337754) has the molecular formula C16H10ClFN4O2 and a molecular weight of 344.73 g/mol. Its IUPAC name is 6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
PubChem CID58337754
Molecular FormulaC16H10ClFN4O2
Molecular Weight344.73 g/mol
Exact Mass344.05
IUPAC Name6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(Cl)n1
InChIInChI=1S/C16H10ClFN4O2/c17-15-3-1-2-14(22-15)16(23)21-11-4-10(18)5-12(6-11)24-13-7-19-9-20-8-13/h1-9H,(H,21,23)
InChIKeyXFIZUOOZDZCUTJ-UHFFFAOYSA-N
XLogP3.71
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.73
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide (CID 58337754) is 6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide is O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is XFIZUOOZDZCUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O2/c17-15-3-1-2-14(22-15)16(23)21-11-4-10(18)5-12(6-11)24-13-7-19-9-20-8-13/h1-9H,(H,21,23).
What are the key properties of 6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 344.73 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 58337754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).