[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine

C9H9F5N2O2 — CID 134668794

IUPAC[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCOc1c(C(F)F)cc(CN)nc1OC(F)(F)F
InChIInChI=1S/C9H9F5N2O2/c1-17-6-5(7(10)11)2-4(3-15)16-8(6)18-9(12,13)14/h2,7H,3,15H2,1H3
InChIKeyBUCDMVHJSTXUCP-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.39
Rot. Bonds4

About [4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine

[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 134668794) has the molecular formula C9H9F5N2O2 and a molecular weight of 272.17 g/mol. Its IUPAC name is [4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID134668794
Molecular FormulaC9H9F5N2O2
Molecular Weight272.17 g/mol
Exact Mass272.06
IUPAC Name[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCOc1c(C(F)F)cc(CN)nc1OC(F)(F)F
InChIInChI=1S/C9H9F5N2O2/c1-17-6-5(7(10)11)2-4(3-15)16-8(6)18-9(12,13)14/h2,7H,3,15H2,1H3
InChIKeyBUCDMVHJSTXUCP-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

Analyze [4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine with MolForge

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Related Compounds

methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661443
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705
[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130068701
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080557
4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
CID 118829479
ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663608
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134661368
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669897
6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde
CID 133085000
6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine
CID 134678577
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681943
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 134668794) is [4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine is COc1c(C(F)F)cc(CN)nc1OC(F)(F)F.
What is the InChIKey of [4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is BUCDMVHJSTXUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O2/c1-17-6-5(7(10)11)2-4(3-15)16-8(6)18-9(12,13)14/h2,7H,3,15H2,1H3.
What are the key properties of [4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
[4-(difluoromethyl)-5-methoxy-6-(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-6-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 134668794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).