5-bromopyridin-3-amine;formamide

C6H8BrN3O — CID 175312718

IUPAC5-bromopyridin-3-amine;formamide
SMILESNC=O.Nc1cncc(Br)c1
InChIInChI=1S/C5H5BrN2.CH3NO/c6-4-1-5(7)3-8-2-4;2-1-3/h1-3H,7H2;1H,(H2,2,3)
InChIKeyINLJMHBXBIRQIR-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.53
Rot. Bonds

About 5-bromopyridin-3-amine;formamide

5-bromopyridin-3-amine;formamide (PubChem CID 175312718) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 5-bromopyridin-3-amine;formamide.

Molecular Properties

Compound Name5-bromopyridin-3-amine;formamide
PubChem CID175312718
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name5-bromopyridin-3-amine;formamide
SMILESNC=O.Nc1cncc(Br)c1
InChIInChI=1S/C5H5BrN2.CH3NO/c6-4-1-5(7)3-8-2-4;2-1-3/h1-3H,7H2;1H,(H2,2,3)
InChIKeyINLJMHBXBIRQIR-UHFFFAOYSA-N
XLogP0.53
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;5-bromopyridin-3-amine;hydroxide
CID 142881303
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1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
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3-bromo-5-methylpyridine;methyl formate
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5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium
CID 159559590
3-(5-bromo-3-pyridinyl)aniline
CID 23298104
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Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-3-amine;formamide?
The IUPAC name of 5-bromopyridin-3-amine;formamide (CID 175312718) is 5-bromopyridin-3-amine;formamide.
What is the SMILES notation for 5-bromopyridin-3-amine;formamide?
The canonical SMILES for 5-bromopyridin-3-amine;formamide is NC=O.Nc1cncc(Br)c1.
What is the InChIKey of 5-bromopyridin-3-amine;formamide?
The InChIKey is INLJMHBXBIRQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2.CH3NO/c6-4-1-5(7)3-8-2-4;2-1-3/h1-3H,7H2;1H,(H2,2,3).
What are the key properties of 5-bromopyridin-3-amine;formamide?
5-bromopyridin-3-amine;formamide has a molecular weight of 218.05 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridin-3-amine;formamide is sourced from PubChem (CID 175312718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).