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

C9H12F2N2O — CID 106908570

IUPAC[6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine
SMILESNCc1cccc(COCC(F)F)n1
InChIInChI=1S/C9H12F2N2O/c10-9(11)6-14-5-8-3-1-2-7(4-12)13-8/h1-3,9H,4-6,12H2
InChIKeySTOIWKHMADVCJH-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.32
Rot. Bonds5

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

[6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine (PubChem CID 106908570) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is [6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine
PubChem CID106908570
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name[6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine
SMILESNCc1cccc(COCC(F)F)n1
InChIInChI=1S/C9H12F2N2O/c10-9(11)6-14-5-8-3-1-2-7(4-12)13-8/h1-3,9H,4-6,12H2
InChIKeySTOIWKHMADVCJH-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

Pyridinolcarbamate
CID 4990
(R,R)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
CID 688213
2,6-Bis(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine
CID 343127
4-Isopropyl-2-[6-(4-isopropyl-4,5-dihydrooxazol-2-yl)-2-pyridyl]-4,5-dihydrooxazole
CID 500120
(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
CID 688211
Ethyl pyridine-2-carboximidate
CID 12263944
[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
(6-Methylpyridin-2-yl)methyl acetate
CID 291137
Dimethyl pyridine-2,6-bis(carbimidate)
CID 13047094
2-Methoxymethyl-6-methylpyridine
CID 253308
[6-(Aminomethyl)pyridin-2-yl]methanol dihydrochloride
CID 91662916
(6-(Aminomethyl)pyridin-2-yl)methanol
CID 21076956

Frequently Asked Questions

What is the IUPAC name of [6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine (CID 106908570) is [6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine is NCc1cccc(COCC(F)F)n1.
What is the InChIKey of [6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine?
The InChIKey is STOIWKHMADVCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-9(11)6-14-5-8-3-1-2-7(4-12)13-8/h1-3,9H,4-6,12H2.
What are the key properties of [6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine?
[6-(2,2-difluoroethoxymethyl)-2-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)-2-pyridinyl]methanamine is sourced from PubChem (CID 106908570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).