6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine

C7H7BrF2N2O — CID 130101775

IUPAC6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine
SMILESCOc1c(N)cnc(Br)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O/c1-13-5-3(11)2-12-6(8)4(5)7(9)10/h2,7H,11H2,1H3
InChIKeyDYURHZHHUZFKSG-UHFFFAOYSA-N
MW253.05 g/mol
LogP2.37
Rot. Bonds2

About 6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine

6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine (PubChem CID 130101775) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine.

Molecular Properties

Compound Name6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine
PubChem CID130101775
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine
SMILESCOc1c(N)cnc(Br)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O/c1-13-5-3(11)2-12-6(8)4(5)7(9)10/h2,7H,11H2,1H3
InChIKeyDYURHZHHUZFKSG-UHFFFAOYSA-N
XLogP2.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carbonitrile
CID 119008821
2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130101773
methyl 6-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134675665
4-bromo-6-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130101766
methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 130102197
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130101640
2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine
CID 118992622
5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130109359
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide
CID 130102361
methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671357
2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide
CID 119011099
6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130101844

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine?
The IUPAC name of 6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine (CID 130101775) is 6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine.
What is the SMILES notation for 6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine?
The canonical SMILES for 6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine is COc1c(N)cnc(Br)c1C(F)F.
What is the InChIKey of 6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine?
The InChIKey is DYURHZHHUZFKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c1-13-5-3(11)2-12-6(8)4(5)7(9)10/h2,7H,11H2,1H3.
What are the key properties of 6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine?
6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine has a molecular weight of 253.05 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine is sourced from PubChem (CID 130101775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).