6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine

C9H12BrF2N3O — CID 170427891

IUPAC6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine
SMILESCC(CNc1cnc(Br)cc1N)OC(F)F
InChIInChI=1S/C9H12BrF2N3O/c1-5(16-9(11)12)3-14-7-4-15-8(10)2-6(7)13/h2,4-5,9,14H,3H2,1H3,(H2,13,15)
InChIKeyYNAOMZRGXQJIOZ-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.47
Rot. Bonds5

About 6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine

6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine (PubChem CID 170427891) has the molecular formula C9H12BrF2N3O and a molecular weight of 296.12 g/mol. Its IUPAC name is 6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine
PubChem CID170427891
Molecular FormulaC9H12BrF2N3O
Molecular Weight296.12 g/mol
Exact Mass295.01
IUPAC Name6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine
SMILESCC(CNc1cnc(Br)cc1N)OC(F)F
InChIInChI=1S/C9H12BrF2N3O/c1-5(16-9(11)12)3-14-7-4-15-8(10)2-6(7)13/h2,4-5,9,14H,3H2,1H3,(H2,13,15)
InChIKeyYNAOMZRGXQJIOZ-UHFFFAOYSA-N
XLogP2.47
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine 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-Bromopyridine-3,4-diamine
CID 18788657
N4-(2-methoxyethyl)pyridine-3,4-diamine
CID 28318597
6-bromo-N3-methylpyridine-3,4-diamine
CID 87483726
5-Bromo-N-(2-(2-methoxyethoxy)ethyl)pyridin-3-amine
CID 71871210
1-[(5-Bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol
CID 71996439
1-[(5-Bromo-3-pyridinyl)amino]pentan-2-ol
CID 71996476
5-bromo-N-(2-methoxyethyl)pyridin-3-amine
CID 99703569
2-[(5-Bromopyridin-3-yl)amino]ethan-1-ol
CID 91636071
5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine
CID 71862615
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine
CID 75374147
5-Bromo-2-trifluoromethyl-pyridin-4-yl-ethylamine
CID 59177221
6-fluoro-4-iodo-N-(2-methoxyethyl)pyridin-3-amine
CID 66738361

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine?
The IUPAC name of 6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine (CID 170427891) is 6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine.
What is the SMILES notation for 6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine?
The canonical SMILES for 6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine is CC(CNc1cnc(Br)cc1N)OC(F)F.
What is the InChIKey of 6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine?
The InChIKey is YNAOMZRGXQJIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2N3O/c1-5(16-9(11)12)3-14-7-4-15-8(10)2-6(7)13/h2,4-5,9,14H,3H2,1H3,(H2,13,15).
What are the key properties of 6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine?
6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine has a molecular weight of 296.12 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine is sourced from PubChem (CID 170427891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).