N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

C19H13Cl3F2N2O — CID 90974169

IUPACN-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
SMILESFc1ccc(Cl)c(CCON(c2ccccn2)c2cccc(Cl)c2F)c1Cl
InChIInChI=1S/C19H13Cl3F2N2O/c20-13-7-8-15(23)18(22)12(13)9-11-27-26(17-6-1-2-10-25-17)16-5-3-4-14(21)19(16)24/h1-8,10H,9,11H2
InChIKeyCCDAENAEOQCOFY-UHFFFAOYSA-N
MW429.68 g/mol
LogP6.63
Rot. Bonds6

About N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (PubChem CID 90974169) has the molecular formula C19H13Cl3F2N2O and a molecular weight of 429.68 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
PubChem CID90974169
Molecular FormulaC19H13Cl3F2N2O
Molecular Weight429.68 g/mol
Exact Mass428.01
IUPAC NameN-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
SMILESFc1ccc(Cl)c(CCON(c2ccccn2)c2cccc(Cl)c2F)c1Cl
InChIInChI=1S/C19H13Cl3F2N2O/c20-13-7-8-15(23)18(22)12(13)9-11-27-26(17-6-1-2-10-25-17)16-5-3-4-14(21)19(16)24/h1-8,10H,9,11H2
InChIKeyCCDAENAEOQCOFY-UHFFFAOYSA-N
XLogP6.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.68
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (CID 90974169) is N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is Fc1ccc(Cl)c(CCON(c2ccccn2)c2cccc(Cl)c2F)c1Cl.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
The InChIKey is CCDAENAEOQCOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3F2N2O/c20-13-7-8-15(23)18(22)12(13)9-11-27-26(17-6-1-2-10-25-17)16-5-3-4-14(21)19(16)24/h1-8,10H,9,11H2.
What are the key properties of N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine has a molecular weight of 429.68 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 90974169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).