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

C9H9F5N2O — CID 133084898

IUPAC[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOc1cc(C(F)F)c(CN)c(C(F)(F)F)n1
InChIInChI=1S/C9H9F5N2O/c1-17-6-2-4(8(10)11)5(3-15)7(16-6)9(12,13)14/h2,8H,3,15H2,1H3
InChIKeyDXWCSGMYQQEMPV-UHFFFAOYSA-N
MW256.17 g/mol
LogP2.51
Rot. Bonds3

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

[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 133084898) has the molecular formula C9H9F5N2O and a molecular weight of 256.17 g/mol. Its IUPAC name is [4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID133084898
Molecular FormulaC9H9F5N2O
Molecular Weight256.17 g/mol
Exact Mass256.06
IUPAC Name[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOc1cc(C(F)F)c(CN)c(C(F)(F)F)n1
InChIInChI=1S/C9H9F5N2O/c1-17-6-2-4(8(10)11)5(3-15)7(16-6)9(12,13)14/h2,8H,3,15H2,1H3
InChIKeyDXWCSGMYQQEMPV-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

[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088386
4-(difluoromethyl)-3-fluoro-6-methoxy-2-(trifluoromethyl)pyridine
CID 118840685
[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084912
2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine
CID 130105886
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134675956
[3-chloro-4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118836942
3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-4-amine
CID 118823698
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine
CID 119017981
3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
CID 130100952
4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118834996
2-[2-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 119020607
2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118824053

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine (CID 133084898) is [4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine is COc1cc(C(F)F)c(CN)c(C(F)(F)F)n1.
What is the InChIKey of [4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is DXWCSGMYQQEMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O/c1-17-6-2-4(8(10)11)5(3-15)7(16-6)9(12,13)14/h2,8H,3,15H2,1H3.
What are the key properties of [4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine?
[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-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 [4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 133084898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).