6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide

C16H9Cl2F3N4O2 — CID 86702625

IUPAC6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(Cl)c(-c2[nH]ncc2F)c1
InChIInChI=1S/C16H9Cl2F3N4O2/c17-14-11(13-12(19)7-23-25-13)5-8(6-22-14)15(26)24-9-1-3-10(4-2-9)27-16(18,20)21/h1-7H,(H,23,25)(H,24,26)
InChIKeySVKYXGVZZWGMIE-UHFFFAOYSA-N
MW417.17 g/mol
LogP4.68
Rot. Bonds5

About 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide

6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide (PubChem CID 86702625) has the molecular formula C16H9Cl2F3N4O2 and a molecular weight of 417.17 g/mol. Its IUPAC name is 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide
PubChem CID86702625
Molecular FormulaC16H9Cl2F3N4O2
Molecular Weight417.17 g/mol
Exact Mass416.01
IUPAC Name6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(Cl)c(-c2[nH]ncc2F)c1
InChIInChI=1S/C16H9Cl2F3N4O2/c17-14-11(13-12(19)7-23-25-13)5-8(6-22-14)15(26)24-9-1-3-10(4-2-9)27-16(18,20)21/h1-7H,(H,23,25)(H,24,26)
InChIKeySVKYXGVZZWGMIE-UHFFFAOYSA-N
XLogP4.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.17
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide (CID 86702625) is 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(Cl)c(-c2[nH]ncc2F)c1.
What is the InChIKey of 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is SVKYXGVZZWGMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N4O2/c17-14-11(13-12(19)7-23-25-13)5-8(6-22-14)15(26)24-9-1-3-10(4-2-9)27-16(18,20)21/h1-7H,(H,23,25)(H,24,26).
What are the key properties of 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide?
6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 417.17 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 86702625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).