3-chloro-4-nitro-1-pyridin-2-ylindazole

C12H7ClN4O2 — CID 174812344

IUPAC3-chloro-4-nitro-1-pyridin-2-ylindazole
SMILESO=[N+]([O-])c1cccc2c1c(Cl)nn2-c1ccccn1
InChIInChI=1S/C12H7ClN4O2/c13-12-11-8(4-3-5-9(11)17(18)19)16(15-12)10-6-1-2-7-14-10/h1-7H
InChIKeyXUIOKXGEBWTPKK-UHFFFAOYSA-N
MW274.67 g/mol
LogP2.98
Rot. Bonds2

About 3-chloro-4-nitro-1-pyridin-2-ylindazole

3-chloro-4-nitro-1-pyridin-2-ylindazole (PubChem CID 174812344) has the molecular formula C12H7ClN4O2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 3-chloro-4-nitro-1-pyridin-2-ylindazole.

Molecular Properties

Compound Name3-chloro-4-nitro-1-pyridin-2-ylindazole
PubChem CID174812344
Molecular FormulaC12H7ClN4O2
Molecular Weight274.67 g/mol
Exact Mass274.03
IUPAC Name3-chloro-4-nitro-1-pyridin-2-ylindazole
SMILESO=[N+]([O-])c1cccc2c1c(Cl)nn2-c1ccccn1
InChIInChI=1S/C12H7ClN4O2/c13-12-11-8(4-3-5-9(11)17(18)19)16(15-12)10-6-1-2-7-14-10/h1-7H
InChIKeyXUIOKXGEBWTPKK-UHFFFAOYSA-N
XLogP2.98
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 52.98
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-nitro-1-pyridin-2-ylindazole?
The IUPAC name of 3-chloro-4-nitro-1-pyridin-2-ylindazole (CID 174812344) is 3-chloro-4-nitro-1-pyridin-2-ylindazole.
What is the SMILES notation for 3-chloro-4-nitro-1-pyridin-2-ylindazole?
The canonical SMILES for 3-chloro-4-nitro-1-pyridin-2-ylindazole is O=[N+]([O-])c1cccc2c1c(Cl)nn2-c1ccccn1.
What is the InChIKey of 3-chloro-4-nitro-1-pyridin-2-ylindazole?
The InChIKey is XUIOKXGEBWTPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4O2/c13-12-11-8(4-3-5-9(11)17(18)19)16(15-12)10-6-1-2-7-14-10/h1-7H.
What are the key properties of 3-chloro-4-nitro-1-pyridin-2-ylindazole?
3-chloro-4-nitro-1-pyridin-2-ylindazole has a molecular weight of 274.67 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-nitro-1-pyridin-2-ylindazole is sourced from PubChem (CID 174812344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).