[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine

C9H9F5N2O — CID 133084908

IUPAC[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESCOc1cnc(C(F)F)c(C(F)(F)F)c1CN
InChIInChI=1S/C9H9F5N2O/c1-17-5-3-16-7(8(10)11)6(4(5)2-15)9(12,13)14/h3,8H,2,15H2,1H3
InChIKeyVGJDKUOLFSYALL-UHFFFAOYSA-N
MW256.17 g/mol
LogP2.51
Rot. Bonds3

About [2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine

[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 133084908) has the molecular formula C9H9F5N2O and a molecular weight of 256.17 g/mol. Its IUPAC name is [2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID133084908
Molecular FormulaC9H9F5N2O
Molecular Weight256.17 g/mol
Exact Mass256.06
IUPAC Name[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESCOc1cnc(C(F)F)c(C(F)(F)F)c1CN
InChIInChI=1S/C9H9F5N2O/c1-17-5-3-16-7(8(10)11)6(4(5)2-15)9(12,13)14/h3,8H,2,15H2,1H3
InChIKeyVGJDKUOLFSYALL-UHFFFAOYSA-N
XLogP2.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol
CID 133084962
4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine
CID 118806198
2-[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetic acid
CID 133085233
[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]methanamine
CID 118841033
[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine
CID 130085536
[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118835408
2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133099443
ethyl 2-[2-(difluoromethyl)-5-methyl-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029266
[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133084455
5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid
CID 133085041
2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118809409
6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol
CID 130085374

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine (CID 133084908) is [2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine is COc1cnc(C(F)F)c(C(F)(F)F)c1CN.
What is the InChIKey of [2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is VGJDKUOLFSYALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O/c1-17-5-3-16-7(8(10)11)6(4(5)2-15)9(12,13)14/h3,8H,2,15H2,1H3.
What are the key properties of [2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine?
[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 256.17 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 133084908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).