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

C9H12F2N2O — CID 118819899

IUPAC[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine
SMILESCOc1c(C(F)F)cc(C)nc1CN
InChIInChI=1S/C9H12F2N2O/c1-5-3-6(9(10)11)8(14-2)7(4-12)13-5/h3,9H,4,12H2,1-2H3
InChIKeyPEXQEOVNZOGDQE-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.79
Rot. Bonds3

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

[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine (PubChem CID 118819899) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is [4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine
PubChem CID118819899
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine
SMILESCOc1c(C(F)F)cc(C)nc1CN
InChIInChI=1S/C9H12F2N2O/c1-5-3-6(9(10)11)8(14-2)7(4-12)13-5/h3,9H,4,12H2,1-2H3
InChIKeyPEXQEOVNZOGDQE-UHFFFAOYSA-N
XLogP1.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanol
CID 130087924
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705
[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130068701
2-(aminomethyl)-4-(difluoromethyl)-6-methoxypyridin-3-amine
CID 130105886
[5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine
CID 118831411
[3-chloro-4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118836942
[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine
CID 130080910
ethyl 2-[6-chloro-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134669651
[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
CID 130068890
[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine
CID 118836880
6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
CID 118836807
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine (CID 118819899) is [4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine is COc1c(C(F)F)cc(C)nc1CN.
What is the InChIKey of [4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine?
The InChIKey is PEXQEOVNZOGDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-5-3-6(9(10)11)8(14-2)7(4-12)13-5/h3,9H,4,12H2,1-2H3.
What are the key properties of [4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine?
[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine has a molecular weight of 202.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine is sourced from PubChem (CID 118819899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).