4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide

C19H11Cl3F3N3O2 — CID 23151979

IUPAC4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1)c1cnc(Cl)cc1Cl
InChIInChI=1S/C19H11Cl3F3N3O2/c20-14-6-17(22)27-8-13(14)18(29)28-11-1-3-12(4-2-11)30-9-16-15(21)5-10(7-26-16)19(23,24)25/h1-8H,9H2,(H,28,29)
InChIKeyTYHJDJJVISKJSL-UHFFFAOYSA-N
MW476.67 g/mol
LogP6.29
Rot. Bonds5

About 4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide

4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide (PubChem CID 23151979) has the molecular formula C19H11Cl3F3N3O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is 4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide
PubChem CID23151979
Molecular FormulaC19H11Cl3F3N3O2
Molecular Weight476.67 g/mol
Exact Mass474.99
IUPAC Name4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1)c1cnc(Cl)cc1Cl
InChIInChI=1S/C19H11Cl3F3N3O2/c20-14-6-17(22)27-8-13(14)18(29)28-11-1-3-12(4-2-11)30-9-16-15(21)5-10(7-26-16)19(23,24)25/h1-8H,9H2,(H,28,29)
InChIKeyTYHJDJJVISKJSL-UHFFFAOYSA-N
XLogP6.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 56.29
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 4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide?
The IUPAC name of 4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide (CID 23151979) is 4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1)c1cnc(Cl)cc1Cl.
What is the InChIKey of 4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide?
The InChIKey is TYHJDJJVISKJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3F3N3O2/c20-14-6-17(22)27-8-13(14)18(29)28-11-1-3-12(4-2-11)30-9-16-15(21)5-10(7-26-16)19(23,24)25/h1-8H,9H2,(H,28,29).
What are the key properties of 4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide?
4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide has a molecular weight of 476.67 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23151979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).