[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine

C9H12F2N2O — CID 82006174

IUPAC[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(COCC(F)F)nc1
InChIInChI=1S/C9H12F2N2O/c10-9(11)6-14-5-8-2-1-7(3-12)4-13-8/h1-2,4,9H,3,5-6,12H2
InChIKeyGZOAQMMFOIYBSG-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.32
Rot. Bonds5

About [6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine

[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine (PubChem CID 82006174) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is [6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine
PubChem CID82006174
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(COCC(F)F)nc1
InChIInChI=1S/C9H12F2N2O/c10-9(11)6-14-5-8-2-1-7(3-12)4-13-8/h1-2,4,9H,3,5-6,12H2
InChIKeyGZOAQMMFOIYBSG-UHFFFAOYSA-N
XLogP1.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82006767
4-(2,2-difluoroethoxymethyl)aniline
CID 60921613
[6-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 103146171
[6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine
CID 106908570
[6-(2-methylpropyl)-3-pyridinyl]methanamine
CID 53274665
[6-[(2-fluoro-3-methylphenoxy)methyl]-3-pyridinyl]methanamine
CID 107661220
[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
CID 82005242
2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine
CID 87770733
[2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine
CID 82003824
[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine
CID 107559173
[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride
CID 67508680
(6-bromo-3-pyridinyl)methanamine
CID 22450529

Frequently Asked Questions

What is the IUPAC name of [6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine (CID 82006174) is [6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine is NCc1ccc(COCC(F)F)nc1.
What is the InChIKey of [6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine?
The InChIKey is GZOAQMMFOIYBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-9(11)6-14-5-8-2-1-7(3-12)4-13-8/h1-2,4,9H,3,5-6,12H2.
What are the key properties of [6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine?
[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine has a molecular weight of 202.20 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 82006174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).