[3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine

C8H9F3N2O — CID 118848151

IUPAC[3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
SMILESCOc1cc(F)c(C(F)F)c(CN)n1
InChIInChI=1S/C8H9F3N2O/c1-14-6-2-4(9)7(8(10)11)5(3-12)13-6/h2,8H,3,12H2,1H3
InChIKeyVGPDYPQIIRMFBY-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.63
Rot. Bonds3

About [3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine

[3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine (PubChem CID 118848151) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
PubChem CID118848151
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
SMILESCOc1cc(F)c(C(F)F)c(CN)n1
InChIInChI=1S/C8H9F3N2O/c1-14-6-2-4(9)7(8(10)11)5(3-12)13-6/h2,8H,3,12H2,1H3
InChIKeyVGPDYPQIIRMFBY-UHFFFAOYSA-N
XLogP1.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine
CID 130099661
2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine
CID 130105886
[3-chloro-4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118836942
[5-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080559
3-(difluoromethyl)-4-fluoro-6-methoxypyridine-2-sulfonamide
CID 133105151
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 118814114
3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine
CID 133105790
[4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118820122
methyl 2-(aminomethyl)-6-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134685150
[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine
CID 118819899
[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine
CID 118836880

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine?
The IUPAC name of [3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine (CID 118848151) is [3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine?
The canonical SMILES for [3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine is COc1cc(F)c(C(F)F)c(CN)n1.
What is the InChIKey of [3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine?
The InChIKey is VGPDYPQIIRMFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-14-6-2-4(9)7(8(10)11)5(3-12)13-6/h2,8H,3,12H2,1H3.
What are the key properties of [3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine?
[3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine has a molecular weight of 206.17 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine is sourced from PubChem (CID 118848151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).