N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride

C14H11Cl2F5N2O — CID 175417341

IUPACN-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
SMILESCN(c1ccc(OCC(F)(F)F)nc1)c1ccc(F)c(Cl)c1F.Cl
InChIInChI=1S/C14H10ClF5N2O.ClH/c1-22(10-4-3-9(16)12(15)13(10)17)8-2-5-11(21-6-8)23-7-14(18,19)20;/h2-6H,7H2,1H3;1H
InChIKeyCKAIHBASSQLMHW-UHFFFAOYSA-N
MW389.15 g/mol
LogP5.14
Rot. Bonds4

About N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride

N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride (PubChem CID 175417341) has the molecular formula C14H11Cl2F5N2O and a molecular weight of 389.15 g/mol. Its IUPAC name is N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
PubChem CID175417341
Molecular FormulaC14H11Cl2F5N2O
Molecular Weight389.15 g/mol
Exact Mass388.02
IUPAC NameN-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
SMILESCN(c1ccc(OCC(F)(F)F)nc1)c1ccc(F)c(Cl)c1F.Cl
InChIInChI=1S/C14H10ClF5N2O.ClH/c1-22(10-4-3-9(16)12(15)13(10)17)8-2-5-11(21-6-8)23-7-14(18,19)20;/h2-6H,7H2,1H3;1H
InChIKeyCKAIHBASSQLMHW-UHFFFAOYSA-N
XLogP5.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.15
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
The IUPAC name of N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride (CID 175417341) is N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride.
What is the SMILES notation for N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
The canonical SMILES for N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride is CN(c1ccc(OCC(F)(F)F)nc1)c1ccc(F)c(Cl)c1F.Cl.
What is the InChIKey of N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
The InChIKey is CKAIHBASSQLMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF5N2O.ClH/c1-22(10-4-3-9(16)12(15)13(10)17)8-2-5-11(21-6-8)23-7-14(18,19)20;/h2-6H,7H2,1H3;1H.
What are the key properties of N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride?
N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride has a molecular weight of 389.15 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,4-difluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride is sourced from PubChem (CID 175417341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).