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

C9H12BrF2N3O — CID 169090552

IUPAC6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine
SMILESC[C@H](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)/t5-/m1/s1
InChIKeyYNAOMZRGXQJIOZ-RXMQYKEDSA-N
MW296.12 g/mol
LogP2.47
Rot. Bonds5

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

6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine (PubChem CID 169090552) has the molecular formula C9H12BrF2N3O and a molecular weight of 296.12 g/mol. Its IUPAC name is 6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine
PubChem CID169090552
Molecular FormulaC9H12BrF2N3O
Molecular Weight296.12 g/mol
Exact Mass295.01
IUPAC Name6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine
SMILESC[C@H](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)/t5-/m1/s1
InChIKeyYNAOMZRGXQJIOZ-RXMQYKEDSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine?
The IUPAC name of 6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine (CID 169090552) is 6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine.
What is the SMILES notation for 6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine?
The canonical SMILES for 6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine is C[C@H](CNc1cnc(Br)cc1N)OC(F)F.
What is the InChIKey of 6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine?
The InChIKey is YNAOMZRGXQJIOZ-RXMQYKEDSA-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)/t5-/m1/s1.
What are the key properties of 6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine?
6-bromo-3-N-[(2R)-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-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine is sourced from PubChem (CID 169090552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).