[6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine

C13H12F2N2O — CID 157390984

IUPAC[6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine
SMILESCc1cc(Oc2cccc(F)c2F)ncc1CN
InChIInChI=1S/C13H12F2N2O/c1-8-5-12(17-7-9(8)6-16)18-11-4-2-3-10(14)13(11)15/h2-5,7H,6,16H2,1H3
InChIKeyBLZQTVNPKRIPLC-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.92
Rot. Bonds3

About [6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine

[6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine (PubChem CID 157390984) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is [6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine
PubChem CID157390984
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name[6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine
SMILESCc1cc(Oc2cccc(F)c2F)ncc1CN
InChIInChI=1S/C13H12F2N2O/c1-8-5-12(17-7-9(8)6-16)18-11-4-2-3-10(14)13(11)15/h2-5,7H,6,16H2,1H3
InChIKeyBLZQTVNPKRIPLC-UHFFFAOYSA-N
XLogP2.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2,3-difluorophenoxy)-2,4-dimethyl-3-pyridinyl]methanamine
CID 161169292
[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189525
2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine
CID 133329231
[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride
CID 157448294
[6-(2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 63035930
[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]methanol
CID 114920716
[4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine
CID 63037258
1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928630
[1-(2-fluoro-3-methylphenoxy)isoquinolin-4-yl]methanamine
CID 107660852
[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine
CID 63082321
ethane;[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]hydrazine
CID 145211137
N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382115

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine (CID 157390984) is [6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine is Cc1cc(Oc2cccc(F)c2F)ncc1CN.
What is the InChIKey of [6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine?
The InChIKey is BLZQTVNPKRIPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-8-5-12(17-7-9(8)6-16)18-11-4-2-3-10(14)13(11)15/h2-5,7H,6,16H2,1H3.
What are the key properties of [6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine?
[6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine has a molecular weight of 250.25 g/mol, XLogP of 2.92, 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)-4-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 157390984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).