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

C9H9F5N2O — CID 133084912

IUPAC[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESCOc1c(C(F)(F)F)ncc(C(F)F)c1CN
InChIInChI=1S/C9H9F5N2O/c1-17-6-4(2-15)5(8(10)11)3-16-7(6)9(12,13)14/h3,8H,2,15H2,1H3
InChIKeyJMNOLYCEVFWSOW-UHFFFAOYSA-N
MW256.17 g/mol
LogP2.51
Rot. Bonds3

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

[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 133084912) has the molecular formula C9H9F5N2O and a molecular weight of 256.17 g/mol. Its IUPAC name is [5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID133084912
Molecular FormulaC9H9F5N2O
Molecular Weight256.17 g/mol
Exact Mass256.06
IUPAC Name[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESCOc1c(C(F)(F)F)ncc(C(F)F)c1CN
InChIInChI=1S/C9H9F5N2O/c1-17-6-4(2-15)5(8(10)11)3-16-7(6)9(12,13)14/h3,8H,2,15H2,1H3
InChIKeyJMNOLYCEVFWSOW-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)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 118850626
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130074919
[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070007
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 118846731
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
CID 133100289
[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 133084898
[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine
CID 130087781
4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine
CID 118801264
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384
[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]methanol
CID 119022056
2-[2-(aminomethyl)-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118848134
[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134662772

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine (CID 133084912) is [5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine is COc1c(C(F)(F)F)ncc(C(F)F)c1CN.
What is the InChIKey of [5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is JMNOLYCEVFWSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O/c1-17-6-4(2-15)5(8(10)11)3-16-7(6)9(12,13)14/h3,8H,2,15H2,1H3.
What are the key properties of [5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine?
[5-(difluoromethyl)-3-methoxy-2-(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 [5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 133084912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).