7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine

C7H5ClN4O2 — CID 83885850

IUPAC7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine
SMILESNc1nc([N+](=O)[O-])c2cc(Cl)ccn12
InChIInChI=1S/C7H5ClN4O2/c8-4-1-2-11-5(3-4)6(12(13)14)10-7(11)9/h1-3H,(H2,9,10)
InChIKeyLCNDBTWWCNAZDG-UHFFFAOYSA-N
MW212.60 g/mol
LogP1.48
Rot. Bonds1

About 7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine

7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine (PubChem CID 83885850) has the molecular formula C7H5ClN4O2 and a molecular weight of 212.60 g/mol. Its IUPAC name is 7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine
PubChem CID83885850
Molecular FormulaC7H5ClN4O2
Molecular Weight212.60 g/mol
Exact Mass212.01
IUPAC Name7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine
SMILESNc1nc([N+](=O)[O-])c2cc(Cl)ccn12
InChIInChI=1S/C7H5ClN4O2/c8-4-1-2-11-5(3-4)6(12(13)14)10-7(11)9/h1-3H,(H2,9,10)
InChIKeyLCNDBTWWCNAZDG-UHFFFAOYSA-N
XLogP1.48
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 51.48
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

7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde
CID 83892272
(7-methyl-1-nitroimidazo[1,5-a]pyridin-3-yl)methanamine
CID 83882695
7-chloro-3-phenylimidazo[1,5-a]pyridin-1-amine
CID 83870996
7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343145
4-chloro-2-nitroaniline
CID 6979
4-chloro-2-nitropyridine
CID 2762847
6-(5-chloro-2-fluorophenyl)-2-nitropyridin-3-ol
CID 162441518
1-bromo-7-chloro-3-methylimidazo[1,5-a]pyridine
CID 83900011
4-(6-chloro-1-methylbenzimidazol-2-yl)-2-nitroaniline
CID 115472501
6-chloro-1-[(4-nitrophenyl)methyl]indole
CID 116620550
2-(7-chloro-3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 83869402
2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine
CID 28945252

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine?
The IUPAC name of 7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine (CID 83885850) is 7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine.
What is the SMILES notation for 7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine?
The canonical SMILES for 7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine is Nc1nc([N+](=O)[O-])c2cc(Cl)ccn12.
What is the InChIKey of 7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine?
The InChIKey is LCNDBTWWCNAZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2/c8-4-1-2-11-5(3-4)6(12(13)14)10-7(11)9/h1-3H,(H2,9,10).
What are the key properties of 7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine?
7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine has a molecular weight of 212.60 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 83885850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).