3-bromo-2-fluoropyridine;pyridine-2,3-diamine

C10H10BrFN4 — CID 158058189

IUPAC3-bromo-2-fluoropyridine;pyridine-2,3-diamine
SMILESFc1ncccc1Br.Nc1cccnc1N
InChIInChI=1S/C5H3BrFN.C5H7N3/c2*6-4-2-1-3-8-5(4)7/h1-3H;1-3H,6H2,(H2,7,8)
InChIKeyFKIBNNUVIDCYCY-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.23
Rot. Bonds

About 3-bromo-2-fluoropyridine;pyridine-2,3-diamine

3-bromo-2-fluoropyridine;pyridine-2,3-diamine (PubChem CID 158058189) has the molecular formula C10H10BrFN4 and a molecular weight of 285.12 g/mol. Its IUPAC name is 3-bromo-2-fluoropyridine;pyridine-2,3-diamine.

Molecular Properties

Compound Name3-bromo-2-fluoropyridine;pyridine-2,3-diamine
PubChem CID158058189
Molecular FormulaC10H10BrFN4
Molecular Weight285.12 g/mol
Exact Mass284.01
IUPAC Name3-bromo-2-fluoropyridine;pyridine-2,3-diamine
SMILESFc1ncccc1Br.Nc1cccnc1N
InChIInChI=1S/C5H3BrFN.C5H7N3/c2*6-4-2-1-3-8-5(4)7/h1-3H;1-3H,6H2,(H2,7,8)
InChIKeyFKIBNNUVIDCYCY-UHFFFAOYSA-N
XLogP2.23
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.23
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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Related Compounds

pyridine-2,3-diamine;pyridine-3,5-diamine
CID 70552694
3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine
CID 102852542
3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine
CID 107634583
3-bromo-2-[(3-fluoro-2-pyridinyl)oxy]aniline
CID 81499825
2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine
CID 107596616
3-(2-aminophenyl)pyridin-2-amine
CID 130114605
3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
CID 107591065
4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine
CID 159042611
3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677
2-bromoaniline
CID 162048621
1-(3-bromo-2-pyridinyl)-1-methylhydrazine
CID 53402715
(2-amino-3-pyridinyl) thiohypofluorite
CID 143924195

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoropyridine;pyridine-2,3-diamine?
The IUPAC name of 3-bromo-2-fluoropyridine;pyridine-2,3-diamine (CID 158058189) is 3-bromo-2-fluoropyridine;pyridine-2,3-diamine.
What is the SMILES notation for 3-bromo-2-fluoropyridine;pyridine-2,3-diamine?
The canonical SMILES for 3-bromo-2-fluoropyridine;pyridine-2,3-diamine is Fc1ncccc1Br.Nc1cccnc1N.
What is the InChIKey of 3-bromo-2-fluoropyridine;pyridine-2,3-diamine?
The InChIKey is FKIBNNUVIDCYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFN.C5H7N3/c2*6-4-2-1-3-8-5(4)7/h1-3H;1-3H,6H2,(H2,7,8).
What are the key properties of 3-bromo-2-fluoropyridine;pyridine-2,3-diamine?
3-bromo-2-fluoropyridine;pyridine-2,3-diamine has a molecular weight of 285.12 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoropyridine;pyridine-2,3-diamine is sourced from PubChem (CID 158058189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).