4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine

C10H8BrN3O3 — CID 24903357

IUPAC4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1c(Br)ccnc1NCc1ccco1
InChIInChI=1S/C10H8BrN3O3/c11-8-3-4-12-10(9(8)14(15)16)13-6-7-2-1-5-17-7/h1-5H,6H2,(H,12,13)
InChIKeyCSOGRXWVGORIGK-UHFFFAOYSA-N
MW298.10 g/mol
LogP2.96
Rot. Bonds4

About 4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine

4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine (PubChem CID 24903357) has the molecular formula C10H8BrN3O3 and a molecular weight of 298.10 g/mol. Its IUPAC name is 4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine
PubChem CID24903357
Molecular FormulaC10H8BrN3O3
Molecular Weight298.10 g/mol
Exact Mass296.97
IUPAC Name4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1c(Br)ccnc1NCc1ccco1
InChIInChI=1S/C10H8BrN3O3/c11-8-3-4-12-10(9(8)14(15)16)13-6-7-2-1-5-17-7/h1-5H,6H2,(H,12,13)
InChIKeyCSOGRXWVGORIGK-UHFFFAOYSA-N
XLogP2.96
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(3-bromophenyl)methyl]-3-nitropyridin-2-amine
CID 24903288
6-N-(furan-2-ylmethyl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22528636
6-N-[(4-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
CID 22528665
6-N-(furan-2-ylmethyl)-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22526926
4-bromo-N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22528671
N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23489184
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23494617
N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22528666
4-N-(3,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
CID 23484847
6-chloro-N-(furan-2-ylmethyl)-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82458984
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
CID 22528626
3-fluoro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62733784

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine?
The IUPAC name of 4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine (CID 24903357) is 4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine?
The canonical SMILES for 4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine is O=[N+]([O-])c1c(Br)ccnc1NCc1ccco1.
What is the InChIKey of 4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine?
The InChIKey is CSOGRXWVGORIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O3/c11-8-3-4-12-10(9(8)14(15)16)13-6-7-2-1-5-17-7/h1-5H,6H2,(H,12,13).
What are the key properties of 4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine?
4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine has a molecular weight of 298.10 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 24903357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).