1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine

C13H11F3N2O — CID 105391448

IUPAC1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2cccc(F)c2F)c1F
InChIInChI=1S/C13H11F3N2O/c1-17-7-8-5-6-18-13(11(8)15)19-10-4-2-3-9(14)12(10)16/h2-6,17H,7H2,1H3
InChIKeyRPOQBTSDJGECIL-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.01
Rot. Bonds4

About 1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine

1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine (PubChem CID 105391448) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
PubChem CID105391448
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2cccc(F)c2F)c1F
InChIInChI=1S/C13H11F3N2O/c1-17-7-8-5-6-18-13(11(8)15)19-10-4-2-3-9(14)12(10)16/h2-6,17H,7H2,1H3
InChIKeyRPOQBTSDJGECIL-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391447
1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391016
1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189380
1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391454
1-(3-fluoro-2-propoxy-4-pyridinyl)-N-methylmethanamine
CID 105390997
1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 116689944
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391755
1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928630
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105391757
1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine
CID 105390952
1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine
CID 105391405
N-[[3-fluoro-2-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391185

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine (CID 105391448) is 1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(Oc2cccc(F)c2F)c1F.
What is the InChIKey of 1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The InChIKey is RPOQBTSDJGECIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-17-7-8-5-6-18-13(11(8)15)19-10-4-2-3-9(14)12(10)16/h2-6,17H,7H2,1H3.
What are the key properties of 1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine has a molecular weight of 268.24 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105391448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).