[2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine

C8H9F3N2 — CID 130080922

IUPAC[2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine
SMILESCc1c(C(F)F)ncc(F)c1CN
InChIInChI=1S/C8H9F3N2/c1-4-5(2-12)6(9)3-13-7(4)8(10)11/h3,8H,2,12H2,1H3
InChIKeyQTLOFOOHCXMAGF-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.93
Rot. Bonds2

About [2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine

[2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine (PubChem CID 130080922) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is [2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine
PubChem CID130080922
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name[2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine
SMILESCc1c(C(F)F)ncc(F)c1CN
InChIInChI=1S/C8H9F3N2/c1-4-5(2-12)6(9)3-13-7(4)8(10)11/h3,8H,2,12H2,1H3
InChIKeyQTLOFOOHCXMAGF-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

5-(aminomethyl)-6-(difluoromethyl)-4-methylpyridin-3-amine
CID 130106307
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine
CID 130079888
[3-chloro-2-(difluoromethyl)-5-methyl-4-pyridinyl]methanamine
CID 118829811
4-(bromomethyl)-6-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106337
5-(aminomethyl)-2-(difluoromethyl)-4-methylpyridin-3-amine
CID 130106302
4-(aminomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-amine
CID 130103996
5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine
CID 130086035
[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine
CID 118801498
2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carbaldehyde
CID 118803644
2-(difluoromethyl)-3,5-difluoropyridin-4-amine
CID 118812171
4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130088514

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine?
The IUPAC name of [2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine (CID 130080922) is [2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine is Cc1c(C(F)F)ncc(F)c1CN.
What is the InChIKey of [2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine?
The InChIKey is QTLOFOOHCXMAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-4-5(2-12)6(9)3-13-7(4)8(10)11/h3,8H,2,12H2,1H3.
What are the key properties of [2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine?
[2-(difluoromethyl)-5-fluoro-3-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)-5-fluoro-3-methyl-4-pyridinyl]methanamine is sourced from PubChem (CID 130080922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).