1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine

C13H11ClF2N2O — CID 114928630

IUPAC1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Oc2cccc(F)c2F)ncc1Cl
InChIInChI=1S/C13H11ClF2N2O/c1-17-6-8-5-12(18-7-9(8)14)19-11-4-2-3-10(15)13(11)16/h2-5,7,17H,6H2,1H3
InChIKeyKNNDBUUBDTVNEY-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.52
Rot. Bonds4

About 1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine

1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 114928630) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID114928630
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Oc2cccc(F)c2F)ncc1Cl
InChIInChI=1S/C13H11ClF2N2O/c1-17-6-8-5-12(18-7-9(8)14)19-11-4-2-3-10(15)13(11)16/h2-5,7,17H,6H2,1H3
InChIKeyKNNDBUUBDTVNEY-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]methanol
CID 114920716
1-[5-chloro-2-(2,3-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928078
1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928464
N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928120
1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928615
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
1-[2-(5-bromo-2-chlorophenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928707
1-(5-chloro-2-pyridin-3-yloxy-4-pyridinyl)-N-methylmethanamine
CID 114927918
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391448
1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189380
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 114928698

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine (CID 114928630) is 1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine is CNCc1cc(Oc2cccc(F)c2F)ncc1Cl.
What is the InChIKey of 1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is KNNDBUUBDTVNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c1-17-6-8-5-12(18-7-9(8)14)19-11-4-2-3-10(15)13(11)16/h2-5,7,17H,6H2,1H3.
What are the key properties of 1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine?
1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 284.69 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114928630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).