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

C8H9F3N2 — CID 118807137

IUPAC[2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine
SMILESCc1cc(CN)c(F)c(C(F)F)n1
InChIInChI=1S/C8H9F3N2/c1-4-2-5(3-12)6(9)7(13-4)8(10)11/h2,8H,3,12H2,1H3
InChIKeyQDMHKRICRKWASC-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.93
Rot. Bonds2

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

[2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine (PubChem CID 118807137) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is [2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine
PubChem CID118807137
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name[2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine
SMILESCc1cc(CN)c(F)c(C(F)F)n1
InChIInChI=1S/C8H9F3N2/c1-4-2-5(3-12)6(9)7(13-4)8(10)11/h2,8H,3,12H2,1H3
InChIKeyQDMHKRICRKWASC-UHFFFAOYSA-N
XLogP1.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(difluoromethyl)-3-fluoro-2-methyl-4-pyridinyl]methanamine
CID 118834888
[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
CID 130081370
ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate
CID 133101161
[2-(difluoromethyl)-5,6-dimethyl-3-pyridinyl]methanamine
CID 130101245
4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 133098511
[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine
CID 130080910
[4-(difluoromethyl)-6-methyl-2-pyridinyl]methanamine
CID 130097545
(6,8-difluoro-2-methylquinolin-4-yl)methanamine
CID 82507508
ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate
CID 133098489
[4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine
CID 114206164
2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-sulfonamide
CID 118837502
[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine
CID 118823517

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine?
The IUPAC name of [2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine (CID 118807137) is [2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine is Cc1cc(CN)c(F)c(C(F)F)n1.
What is the InChIKey of [2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine?
The InChIKey is QDMHKRICRKWASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-4-2-5(3-12)6(9)7(13-4)8(10)11/h2,8H,3,12H2,1H3.
What are the key properties of [2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine?
[2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine has a molecular weight of 190.17 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine is sourced from PubChem (CID 118807137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).