1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole

C13H9ClN4O2 — CID 79246153

IUPAC1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole
SMILESO=[N+]([O-])c1ccc2cnn(Cc3cc(Cl)ccn3)c2c1
InChIInChI=1S/C13H9ClN4O2/c14-10-3-4-15-11(5-10)8-17-13-6-12(18(19)20)2-1-9(13)7-16-17/h1-7H,8H2
InChIKeyOCECCAORMFUGNS-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.04
Rot. Bonds3

About 1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole

1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole (PubChem CID 79246153) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole.

Molecular Properties

Compound Name1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole
PubChem CID79246153
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole
SMILESO=[N+]([O-])c1ccc2cnn(Cc3cc(Cl)ccn3)c2c1
InChIInChI=1S/C13H9ClN4O2/c14-10-3-4-15-11(5-10)8-17-13-6-12(18(19)20)2-1-9(13)7-16-17/h1-7H,8H2
InChIKeyOCECCAORMFUGNS-UHFFFAOYSA-N
XLogP3.04
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.04
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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Related Compounds

6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
CID 79233120
1-[(3,6-dichloro-2-pyridinyl)methyl]-6-nitroindazole
CID 62892546
1-(5-chloropentyl)-6-nitroindazole
CID 43348333
N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
CID 62465969
1-[(4-tert-butylphenyl)methyl]-6-nitroindazole
CID 16796352
4-[(6-nitroindazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664469
8-methyl-2-[(6-nitroindazol-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18207600
1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
CID 112560077
1-butyl-6-nitroindazole
CID 155169975
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
1-[(2-chloro-5-nitrophenyl)methyl]indazole
CID 62140370
2-[(4-chloro-2-pyridinyl)methyl]phthalazin-1-one
CID 79256195

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole?
The IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole (CID 79246153) is 1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole.
What is the SMILES notation for 1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole?
The canonical SMILES for 1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole is O=[N+]([O-])c1ccc2cnn(Cc3cc(Cl)ccn3)c2c1.
What is the InChIKey of 1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole?
The InChIKey is OCECCAORMFUGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c14-10-3-4-15-11(5-10)8-17-13-6-12(18(19)20)2-1-9(13)7-16-17/h1-7H,8H2.
What are the key properties of 1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole?
1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole has a molecular weight of 288.69 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole is sourced from PubChem (CID 79246153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).