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

C9H9F5N2O — CID 133084888

IUPAC[6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCOc1c(C(F)(F)F)cc(CN)nc1C(F)F
InChIInChI=1S/C9H9F5N2O/c1-17-7-5(9(12,13)14)2-4(3-15)16-6(7)8(10)11/h2,8H,3,15H2,1H3
InChIKeyINYPQGXCVQQXHY-UHFFFAOYSA-N
MW256.17 g/mol
LogP2.51
Rot. Bonds3

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

[6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 133084888) has the molecular formula C9H9F5N2O and a molecular weight of 256.17 g/mol. Its IUPAC name is [6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID133084888
Molecular FormulaC9H9F5N2O
Molecular Weight256.17 g/mol
Exact Mass256.06
IUPAC Name[6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCOc1c(C(F)(F)F)cc(CN)nc1C(F)F
InChIInChI=1S/C9H9F5N2O/c1-17-7-5(9(12,13)14)2-4(3-15)16-6(7)8(10)11/h2,8H,3,15H2,1H3
InChIKeyINYPQGXCVQQXHY-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

[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]methanamine
CID 130085511
6-chloro-2-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)pyridine
CID 130073844
2-[6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 133085230
methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133099003
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172
[2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine
CID 130085534
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085207
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705
2-(difluoromethyl)-4-iodo-3-methoxy-6-(trifluoromethyl)pyridine
CID 118809295
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118801682

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine (CID 133084888) is [6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine is COc1c(C(F)(F)F)cc(CN)nc1C(F)F.
What is the InChIKey of [6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is INYPQGXCVQQXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O/c1-17-7-5(9(12,13)14)2-4(3-15)16-6(7)8(10)11/h2,8H,3,15H2,1H3.
What are the key properties of [6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine?
[6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-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 [6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 133084888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).