5-bromo-3-fluoro-2H-pyridine-1,2-diamine

C5H7BrFN3 — CID 170340688

IUPAC5-bromo-3-fluoro-2H-pyridine-1,2-diamine
SMILESNC1C(F)=CC(Br)=CN1N
InChIInChI=1S/C5H7BrFN3/c6-3-1-4(7)5(8)10(9)2-3/h1-2,5H,8-9H2
InChIKeyURMBVOMPBFMSRK-UHFFFAOYSA-N
MW208.03 g/mol
LogP0.55
Rot. Bonds

About 5-bromo-3-fluoro-2H-pyridine-1,2-diamine

5-bromo-3-fluoro-2H-pyridine-1,2-diamine (PubChem CID 170340688) has the molecular formula C5H7BrFN3 and a molecular weight of 208.03 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2H-pyridine-1,2-diamine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2H-pyridine-1,2-diamine
PubChem CID170340688
Molecular FormulaC5H7BrFN3
Molecular Weight208.03 g/mol
Exact Mass206.98
IUPAC Name5-bromo-3-fluoro-2H-pyridine-1,2-diamine
SMILESNC1C(F)=CC(Br)=CN1N
InChIInChI=1S/C5H7BrFN3/c6-3-1-4(7)5(8)10(9)2-3/h1-2,5H,8-9H2
InChIKeyURMBVOMPBFMSRK-UHFFFAOYSA-N
XLogP0.55
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.03
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

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3,5-difluoro-1,2-dihydropyridine-2,6-diamine
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5-bromo-6-(2,4,6-trifluorophenyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
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2-amino-3,5-dibromo-1-methyl-2H-pyridine-6-carboxylic acid
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3-bromo-5-fluoroaniline
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2H-pyridine-1,2-diamine?
The IUPAC name of 5-bromo-3-fluoro-2H-pyridine-1,2-diamine (CID 170340688) is 5-bromo-3-fluoro-2H-pyridine-1,2-diamine.
What is the SMILES notation for 5-bromo-3-fluoro-2H-pyridine-1,2-diamine?
The canonical SMILES for 5-bromo-3-fluoro-2H-pyridine-1,2-diamine is NC1C(F)=CC(Br)=CN1N.
What is the InChIKey of 5-bromo-3-fluoro-2H-pyridine-1,2-diamine?
The InChIKey is URMBVOMPBFMSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrFN3/c6-3-1-4(7)5(8)10(9)2-3/h1-2,5H,8-9H2.
What are the key properties of 5-bromo-3-fluoro-2H-pyridine-1,2-diamine?
5-bromo-3-fluoro-2H-pyridine-1,2-diamine has a molecular weight of 208.03 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2H-pyridine-1,2-diamine is sourced from PubChem (CID 170340688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).