5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine

C14H13Cl2FN2O — CID 59231694

IUPAC5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine
SMILESCc1ncc(N)cc1OC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H13Cl2FN2O/c1-7-12(5-9(18)6-19-7)20-8(2)13-10(15)3-4-11(17)14(13)16/h3-6,8H,18H2,1-2H3
InChIKeyRMSNDBFEOBLDDS-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.56
Rot. Bonds3

About 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine

5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine (PubChem CID 59231694) has the molecular formula C14H13Cl2FN2O and a molecular weight of 315.18 g/mol. Its IUPAC name is 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine.

Molecular Properties

Compound Name5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine
PubChem CID59231694
Molecular FormulaC14H13Cl2FN2O
Molecular Weight315.18 g/mol
Exact Mass314.04
IUPAC Name5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine
SMILESCc1ncc(N)cc1OC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H13Cl2FN2O/c1-7-12(5-9(18)6-19-7)20-8(2)13-10(15)3-4-11(17)14(13)16/h3-6,8H,18H2,1-2H3
InChIKeyRMSNDBFEOBLDDS-UHFFFAOYSA-N
XLogP4.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-ethylpyridin-2-amine
CID 143190028
3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 99775714
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 21111394
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 59599412
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
3-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]prop-2-ynamide
CID 69459031
5-(6-bromo-3-pyridinyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 59599434
1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol
CID 21111371
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-(dimethylamino)phenyl]pyridin-2-amine
CID 21110793
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine
CID 24960394
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-methyl-5-(4-prop-1-en-2-ylphenyl)pyridine;oxane
CID 143725025
5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
CID 21111477

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine?
The IUPAC name of 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine (CID 59231694) is 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine.
What is the SMILES notation for 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine?
The canonical SMILES for 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine is Cc1ncc(N)cc1OC(C)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine?
The InChIKey is RMSNDBFEOBLDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O/c1-7-12(5-9(18)6-19-7)20-8(2)13-10(15)3-4-11(17)14(13)16/h3-6,8H,18H2,1-2H3.
What are the key properties of 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine?
5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine has a molecular weight of 315.18 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine is sourced from PubChem (CID 59231694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).