[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride

C13H13ClF2N2O — CID 157448294

IUPAC[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride
SMILESCc1cc(CN)cnc1Oc1cccc(F)c1F.Cl
InChIInChI=1S/C13H12F2N2O.ClH/c1-8-5-9(6-16)7-17-13(8)18-11-4-2-3-10(14)12(11)15;/h2-5,7H,6,16H2,1H3;1H
InChIKeyQBJAUSMVIATTAC-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.34
Rot. Bonds3

About [6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride

[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride (PubChem CID 157448294) has the molecular formula C13H13ClF2N2O and a molecular weight of 286.71 g/mol. Its IUPAC name is [6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride
PubChem CID157448294
Molecular FormulaC13H13ClF2N2O
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride
SMILESCc1cc(CN)cnc1Oc1cccc(F)c1F.Cl
InChIInChI=1S/C13H12F2N2O.ClH/c1-8-5-9(6-16)7-17-13(8)18-11-4-2-3-10(14)12(11)15;/h2-5,7H,6,16H2,1H3;1H
InChIKeyQBJAUSMVIATTAC-UHFFFAOYSA-N
XLogP3.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine
CID 80636065
[6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine
CID 157390984
[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633368
[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 83235140
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
[6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633985
2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine
CID 107661759
[6-[3-(methoxymethyl)phenoxy]-5-methyl-3-pyridinyl]methanamine
CID 80633528
[5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine
CID 80633747
2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534
(6-methoxy-5-methyl-3-pyridinyl)methanamine
CID 59238572
[6-(2,3-difluorophenoxy)-2,4-dimethyl-3-pyridinyl]methanamine
CID 161169292

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride (CID 157448294) is [6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride is Cc1cc(CN)cnc1Oc1cccc(F)c1F.Cl.
What is the InChIKey of [6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride?
The InChIKey is QBJAUSMVIATTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O.ClH/c1-8-5-9(6-16)7-17-13(8)18-11-4-2-3-10(14)12(11)15;/h2-5,7H,6,16H2,1H3;1H.
What are the key properties of [6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride?
[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride has a molecular weight of 286.71 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 157448294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).