[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine

C8H9BrF2N2 — CID 118820028

IUPAC[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
SMILESCc1cc(Br)c(CN)nc1C(F)F
InChIInChI=1S/C8H9BrF2N2/c1-4-2-5(9)6(3-12)13-7(4)8(10)11/h2,8H,3,12H2,1H3
InChIKeyCEPWZQRRNJJEBH-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.55
Rot. Bonds2

About [3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine

[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine (PubChem CID 118820028) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is [3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
PubChem CID118820028
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
SMILESCc1cc(Br)c(CN)nc1C(F)F
InChIInChI=1S/C8H9BrF2N2/c1-4-2-5(9)6(3-12)13-7(4)8(10)11/h2,8H,3,12H2,1H3
InChIKeyCEPWZQRRNJJEBH-UHFFFAOYSA-N
XLogP2.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
[5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069341
[5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118825637
[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine
CID 118814262
6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118820061
3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine
CID 130068744
[4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
CID 130108006
methyl 2-[6-(aminomethyl)-5-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134670892
[2-(difluoromethyl)-5,6-dimethyl-3-pyridinyl]methanamine
CID 130101245
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine
CID 130074149
methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098701
2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070048

Frequently Asked Questions

What is the IUPAC name of [3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine?
The IUPAC name of [3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine (CID 118820028) is [3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine.
What is the SMILES notation for [3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine?
The canonical SMILES for [3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine is Cc1cc(Br)c(CN)nc1C(F)F.
What is the InChIKey of [3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine?
The InChIKey is CEPWZQRRNJJEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c1-4-2-5(9)6(3-12)13-7(4)8(10)11/h2,8H,3,12H2,1H3.
What are the key properties of [3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine?
[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine has a molecular weight of 251.07 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine is sourced from PubChem (CID 118820028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).