6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine

C8H9BrF2N2 — CID 130106324

IUPAC6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine
SMILESCc1c(C(F)F)cc(N)nc1CBr
InChIInChI=1S/C8H9BrF2N2/c1-4-5(8(10)11)2-7(12)13-6(4)3-9/h2,8H,3H2,1H3,(H2,12,13)
InChIKeyOGGPKLIXWSCSAG-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.80
Rot. Bonds2

About 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine

6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine (PubChem CID 130106324) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine
PubChem CID130106324
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine
SMILESCc1c(C(F)F)cc(N)nc1CBr
InChIInChI=1S/C8H9BrF2N2/c1-4-5(8(10)11)2-7(12)13-6(4)3-9/h2,8H,3H2,1H3,(H2,12,13)
InChIKeyOGGPKLIXWSCSAG-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-6-chloro-4-(difluoromethyl)-3-methylpyridine
CID 130074151
6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130103415
6-(aminomethyl)-4-(difluoromethyl)pyridine-2,5-diamine
CID 118836943
6-amino-4-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol
CID 130104825
6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 130104065
2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130102010
[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069331
4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine
CID 130106319
6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine
CID 130105343
[6-(aminomethyl)-4-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 130088446
6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 119002293
6-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101938

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine?
The IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine (CID 130106324) is 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine?
The canonical SMILES for 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine is Cc1c(C(F)F)cc(N)nc1CBr.
What is the InChIKey of 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine?
The InChIKey is OGGPKLIXWSCSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c1-4-5(8(10)11)2-7(12)13-6(4)3-9/h2,8H,3H2,1H3,(H2,12,13).
What are the key properties of 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine?
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine has a molecular weight of 251.07 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 130106324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).