N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine

C13H10BrN5O2 — CID 133269818

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCc2cn3cc(Br)ccc3n2)nc1
InChIInChI=1S/C13H10BrN5O2/c14-9-1-4-13-17-10(8-18(13)7-9)5-15-12-3-2-11(6-16-12)19(20)21/h1-4,6-8H,5H2,(H,15,16)
InChIKeyRPXRUZDASNIICB-UHFFFAOYSA-N
MW348.16 g/mol
LogP3.01
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine (PubChem CID 133269818) has the molecular formula C13H10BrN5O2 and a molecular weight of 348.16 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine
PubChem CID133269818
Molecular FormulaC13H10BrN5O2
Molecular Weight348.16 g/mol
Exact Mass347.00
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCc2cn3cc(Br)ccc3n2)nc1
InChIInChI=1S/C13H10BrN5O2/c14-9-1-4-13-17-10(8-18(13)7-9)5-15-12-3-2-11(6-16-12)19(20)21/h1-4,6-8H,5H2,(H,15,16)
InChIKeyRPXRUZDASNIICB-UHFFFAOYSA-N
XLogP3.01
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine (CID 133269818) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(NCc2cn3cc(Br)ccc3n2)nc1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine?
The InChIKey is RPXRUZDASNIICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5O2/c14-9-1-4-13-17-10(8-18(13)7-9)5-15-12-3-2-11(6-16-12)19(20)21/h1-4,6-8H,5H2,(H,15,16).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine has a molecular weight of 348.16 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 133269818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).