2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine

C8H9BrF2N2O — CID 130105942

IUPAC2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine
SMILESCOc1c(N)cc(C(F)F)nc1CBr
InChIInChI=1S/C8H9BrF2N2O/c1-14-7-4(12)2-5(8(10)11)13-6(7)3-9/h2,8H,3H2,1H3,(H2,12,13)
InChIKeyDPIXWDQIXJSEDJ-UHFFFAOYSA-N
MW267.07 g/mol
LogP2.50
Rot. Bonds3

About 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine

2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine (PubChem CID 130105942) has the molecular formula C8H9BrF2N2O and a molecular weight of 267.07 g/mol. Its IUPAC name is 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine.

Molecular Properties

Compound Name2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine
PubChem CID130105942
Molecular FormulaC8H9BrF2N2O
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine
SMILESCOc1c(N)cc(C(F)F)nc1CBr
InChIInChI=1S/C8H9BrF2N2O/c1-14-7-4(12)2-5(8(10)11)13-6(7)3-9/h2,8H,3H2,1H3,(H2,12,13)
InChIKeyDPIXWDQIXJSEDJ-UHFFFAOYSA-N
XLogP2.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068761
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 118810017
4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 152778193
2-(bromomethyl)-6-(difluoromethyl)-4-methoxy-3-(trifluoromethyl)pyridine
CID 118843944
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
CID 130106396
2-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridin-3-amine
CID 130102673
4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068807
[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130098756
2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118823621
2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130105970
4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid
CID 118845538
2-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118843950

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine?
The IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine (CID 130105942) is 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine.
What is the SMILES notation for 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine?
The canonical SMILES for 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine is COc1c(N)cc(C(F)F)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine?
The InChIKey is DPIXWDQIXJSEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O/c1-14-7-4(12)2-5(8(10)11)13-6(7)3-9/h2,8H,3H2,1H3,(H2,12,13).
What are the key properties of 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine?
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine has a molecular weight of 267.07 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine is sourced from PubChem (CID 130105942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).