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

C9H9F5N2O2 — CID 118825721

IUPAC[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCOc1cnc(CN)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H9F5N2O2/c1-17-5-3-16-4(2-15)7(6(5)8(10)11)18-9(12,13)14/h3,8H,2,15H2,1H3
InChIKeyPNGZWHRSRBWJCO-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.39
Rot. Bonds4

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

[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 118825721) has the molecular formula C9H9F5N2O2 and a molecular weight of 272.17 g/mol. Its IUPAC name is [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID118825721
Molecular FormulaC9H9F5N2O2
Molecular Weight272.17 g/mol
Exact Mass272.06
IUPAC Name[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCOc1cnc(CN)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H9F5N2O2/c1-17-5-3-16-4(2-15)7(6(5)8(10)11)18-9(12,13)14/h3,8H,2,15H2,1H3
InChIKeyPNGZWHRSRBWJCO-UHFFFAOYSA-N
XLogP2.39
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
ethyl 2-[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668665
4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118812562
[3-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118853765
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814252
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118803257
ethyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134678954
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820147
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridin-4-amine
CID 118800001

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 118825721) is [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine is COc1cnc(CN)c(OC(F)(F)F)c1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is PNGZWHRSRBWJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O2/c1-17-5-3-16-4(2-15)7(6(5)8(10)11)18-9(12,13)14/h3,8H,2,15H2,1H3.
What are the key properties of [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 272.17 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 118825721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).