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

C8H9BrF2N2O — CID 130105934

IUPAC5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
SMILESCOc1ncc(CBr)c(C(F)F)c1N
InChIInChI=1S/C8H9BrF2N2O/c1-14-8-6(12)5(7(10)11)4(2-9)3-13-8/h3,7H,2,12H2,1H3
InChIKeyHRRKQTQWZXAKMZ-UHFFFAOYSA-N
MW267.07 g/mol
LogP2.50
Rot. Bonds3

About 5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine

5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine (PubChem CID 130105934) has the molecular formula C8H9BrF2N2O and a molecular weight of 267.07 g/mol. Its IUPAC name is 5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine.

Molecular Properties

Compound Name5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
PubChem CID130105934
Molecular FormulaC8H9BrF2N2O
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
SMILESCOc1ncc(CBr)c(C(F)F)c1N
InChIInChI=1S/C8H9BrF2N2O/c1-14-8-6(12)5(7(10)11)4(2-9)3-13-8/h3,7H,2,12H2,1H3
InChIKeyHRRKQTQWZXAKMZ-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

methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130104035
[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130107173
3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107224
[5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130068718
5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
CID 134662895
3-(difluoromethyl)-2,5-dimethoxypyridin-4-amine
CID 130100785
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299
3-(bromomethyl)-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130080624
[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130073716
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine?
The IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine (CID 130105934) is 5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine.
What is the SMILES notation for 5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine?
The canonical SMILES for 5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine is COc1ncc(CBr)c(C(F)F)c1N.
What is the InChIKey of 5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine?
The InChIKey is HRRKQTQWZXAKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O/c1-14-8-6(12)5(7(10)11)4(2-9)3-13-8/h3,7H,2,12H2,1H3.
What are the key properties of 5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine?
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-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 5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine is sourced from PubChem (CID 130105934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).