2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine

C14H14ClFN2O — CID 123727248

IUPAC2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine
SMILESCOc1ccc(CCN)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2O/c1-19-13-5-3-10(6-7-17)18-14(13)9-2-4-12(16)11(15)8-9/h2-5,8H,6-7,17H2,1H3
InChIKeyBAGPVMKITLPAND-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.05
Rot. Bonds4

About 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine

2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine (PubChem CID 123727248) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine
PubChem CID123727248
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine
SMILESCOc1ccc(CCN)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2O/c1-19-13-5-3-10(6-7-17)18-14(13)9-2-4-12(16)11(15)8-9/h2-5,8H,6-7,17H2,1H3
InChIKeyBAGPVMKITLPAND-UHFFFAOYSA-N
XLogP3.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-3-(111C)methoxy-6-(pyridin-4-ylmethyl)pyridine
CID 168269904
US10155760, Example 154
CID 118429734
US10155760, Example 156
CID 118429797
5-(3-Chlorophenyl)-3-methoxy-2-pyridinecarbonitrile
CID 71075701
2-(3-Chlorophenyl)-3-methoxy-6-(pyridin-4-ylmethyl)pyridine
CID 168268677
2-(4-Fluorophenyl)-3-methoxypyridine
CID 46312976
2-(3,6-Dimethoxy-5-(4,4,4-trifluorobutyl)pyridin-2-yl)ethan-1-amine
CID 169246542
2-(5-(5-Fluoropentyl)-3,6-dimethoxypyridin-2-yl)ethan-1-amine
CID 169246555
2-(5-(4-Fluorobutyl)-3,6-dimethoxypyridin-2-yl)ethan-1-amine
CID 169246594
2-(3,6-Dimethoxy-5-(6,6,6-trifluorohexyl)pyridin-2-yl)ethan-1-amine
CID 169246619
2-Chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine
CID 102361414
3-(2-Chloro-4-fluorophenyl)-5-methoxypyridine
CID 56702612

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine (CID 123727248) is 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine is COc1ccc(CCN)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine?
The InChIKey is BAGPVMKITLPAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-19-13-5-3-10(6-7-17)18-14(13)9-2-4-12(16)11(15)8-9/h2-5,8H,6-7,17H2,1H3.
What are the key properties of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine?
2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine has a molecular weight of 280.73 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanamine is sourced from PubChem (CID 123727248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).