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

C7H7BrF2N2O — CID 130101773

IUPAC2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine
SMILESCOc1c(Br)ncc(C(F)F)c1N
InChIInChI=1S/C7H7BrF2N2O/c1-13-5-4(11)3(7(9)10)2-12-6(5)8/h2,7H,1H3,(H2,11,12)
InChIKeySSTNILCZUBIFHF-UHFFFAOYSA-N
MW253.05 g/mol
LogP2.37
Rot. Bonds2

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

2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine (PubChem CID 130101773) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine.

Molecular Properties

Compound Name2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine
PubChem CID130101773
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine
SMILESCOc1c(Br)ncc(C(F)F)c1N
InChIInChI=1S/C7H7BrF2N2O/c1-13-5-4(11)3(7(9)10)2-12-6(5)8/h2,7H,1H3,(H2,11,12)
InChIKeySSTNILCZUBIFHF-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'}

Analyze 2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130101775
2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide
CID 119011099
ethyl 2-bromo-5-(difluoromethyl)-3-methoxypyridine-4-carboxylate
CID 134685048
3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine
CID 130109360
5-(difluoromethyl)-3-iodo-2-methoxypyridin-4-amine
CID 118806527
4-bromo-6-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130101766
methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102191
2-bromo-5-(difluoromethyl)-4-fluoro-3-methylpyridine
CID 130109380
4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118850596
[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]methanol
CID 119022056
[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130068701
3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130108664

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine?
The IUPAC name of 2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine (CID 130101773) is 2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine.
What is the SMILES notation for 2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine?
The canonical SMILES for 2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine is COc1c(Br)ncc(C(F)F)c1N.
What is the InChIKey of 2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine?
The InChIKey is SSTNILCZUBIFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c1-13-5-4(11)3(7(9)10)2-12-6(5)8/h2,7H,1H3,(H2,11,12).
What are the key properties of 2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine?
2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-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 2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine is sourced from PubChem (CID 130101773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).