1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole

C13H9FN4O2 — CID 68619624

IUPAC1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2c(cnn2Cc2ccc(F)nc2)c1
InChIInChI=1S/C13H9FN4O2/c14-13-4-1-9(6-15-13)8-17-12-3-2-11(18(19)20)5-10(12)7-16-17/h1-7H,8H2
InChIKeyQGQNTBUYDZWNIB-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.53
Rot. Bonds3

About 1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole

1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole (PubChem CID 68619624) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is 1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole.

Molecular Properties

Compound Name1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole
PubChem CID68619624
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC Name1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2c(cnn2Cc2ccc(F)nc2)c1
InChIInChI=1S/C13H9FN4O2/c14-13-4-1-9(6-15-13)8-17-12-3-2-11(18(19)20)5-10(12)7-16-17/h1-7H,8H2
InChIKeyQGQNTBUYDZWNIB-UHFFFAOYSA-N
XLogP2.53
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole
CID 68618758
1-[(4-tert-butylphenyl)methyl]-6-nitroindazole
CID 16796352
5-methoxy-1-[(3-nitrophenyl)methyl]indazole
CID 15429052
1-[(2R)-2-methoxypropyl]-5-nitroindazole
CID 141387350
2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile
CID 69339825
N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
CID 62465969
1-[(2-chloro-5-nitrophenyl)methyl]indazole
CID 62140370
4-(4-iodophenyl)-3-[(5-nitroindazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
CID 139214183
N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine
CID 10518107
1-tert-butyl-5-nitroindazole
CID 15147634
1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-nitroindazole
CID 35956497
6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindazole
CID 59148100

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole?
The IUPAC name of 1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole (CID 68619624) is 1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole.
What is the SMILES notation for 1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole?
The canonical SMILES for 1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole is O=[N+]([O-])c1ccc2c(cnn2Cc2ccc(F)nc2)c1.
What is the InChIKey of 1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole?
The InChIKey is QGQNTBUYDZWNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c14-13-4-1-9(6-15-13)8-17-12-3-2-11(18(19)20)5-10(12)7-16-17/h1-7H,8H2.
What are the key properties of 1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole?
1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole has a molecular weight of 272.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole is sourced from PubChem (CID 68619624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).