6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide

C16H9ClF2N4O2 — CID 58337680

IUPAC6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cccc(Cl)n1
InChIInChI=1S/C16H9ClF2N4O2/c17-14-3-1-2-12(23-14)16(24)22-9-4-11(18)15(19)13(5-9)25-10-6-20-8-21-7-10/h1-8H,(H,22,24)
InChIKeyJASAHCYGBYWZME-UHFFFAOYSA-N
MW362.72 g/mol
LogP3.85
Rot. Bonds4

About 6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide

6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 58337680) has the molecular formula C16H9ClF2N4O2 and a molecular weight of 362.72 g/mol. Its IUPAC name is 6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
PubChem CID58337680
Molecular FormulaC16H9ClF2N4O2
Molecular Weight362.72 g/mol
Exact Mass362.04
IUPAC Name6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cccc(Cl)n1
InChIInChI=1S/C16H9ClF2N4O2/c17-14-3-1-2-12(23-14)16(24)22-9-4-11(18)15(19)13(5-9)25-10-6-20-8-21-7-10/h1-8H,(H,22,24)
InChIKeyJASAHCYGBYWZME-UHFFFAOYSA-N
XLogP3.85
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.72
LogP ≤ 53.85
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-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide (CID 58337680) is 6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide is O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is JASAHCYGBYWZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N4O2/c17-14-3-1-2-12(23-14)16(24)22-9-4-11(18)15(19)13(5-9)25-10-6-20-8-21-7-10/h1-8H,(H,22,24).
What are the key properties of 6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 362.72 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 58337680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).