5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine

C11H10BrN5O3 — CID 133498073

IUPAC5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Br)cnc1NCc1nnc(C2CC2)o1
InChIInChI=1S/C11H10BrN5O3/c12-7-3-8(17(18)19)10(13-4-7)14-5-9-15-16-11(20-9)6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyXPRTWBWQPCHNBA-UHFFFAOYSA-N
MW340.14 g/mol
LogP2.62
Rot. Bonds5

About 5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine

5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine (PubChem CID 133498073) has the molecular formula C11H10BrN5O3 and a molecular weight of 340.14 g/mol. Its IUPAC name is 5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine
PubChem CID133498073
Molecular FormulaC11H10BrN5O3
Molecular Weight340.14 g/mol
Exact Mass339.00
IUPAC Name5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Br)cnc1NCc1nnc(C2CC2)o1
InChIInChI=1S/C11H10BrN5O3/c12-7-3-8(17(18)19)10(13-4-7)14-5-9-15-16-11(20-9)6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyXPRTWBWQPCHNBA-UHFFFAOYSA-N
XLogP2.62
TPSA106.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542196
5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
CID 61227864
5-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 61228843
2-[[(5-bromo-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115698431
5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
CID 103768221
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(difluoromethylsulfonyl)-2-nitroaniline
CID 133498007
2-[3-[(5-bromo-3-nitro-2-pyridinyl)amino]propyl]cyclohexan-1-ol
CID 133384900
5-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-2-amine
CID 61227289
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669
5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61229223
5-bromo-N-[(3-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903272
4-N-(5-bromo-3-nitro-2-pyridinyl)-1-N-methylcyclohexane-1,4-diamine
CID 79110639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine (CID 133498073) is 5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine is O=[N+]([O-])c1cc(Br)cnc1NCc1nnc(C2CC2)o1.
What is the InChIKey of 5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine?
The InChIKey is XPRTWBWQPCHNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O3/c12-7-3-8(17(18)19)10(13-4-7)14-5-9-15-16-11(20-9)6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14).
What are the key properties of 5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine?
5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine has a molecular weight of 340.14 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 133498073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).