6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine

C13H11N5O2 — CID 79233120

IUPAC6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
SMILESNc1cccc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1
InChIInChI=1S/C13H11N5O2/c14-13-3-1-2-10(16-13)8-17-12-6-11(18(19)20)5-4-9(12)7-15-17/h1-7H,8H2,(H2,14,16)
InChIKeyBWFDQUUXVUXDTL-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.97
Rot. Bonds3

About 6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine

6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine (PubChem CID 79233120) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
PubChem CID79233120
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
SMILESNc1cccc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1
InChIInChI=1S/C13H11N5O2/c14-13-3-1-2-10(16-13)8-17-12-6-11(18(19)20)5-4-9(12)7-15-17/h1-7H,8H2,(H2,14,16)
InChIKeyBWFDQUUXVUXDTL-UHFFFAOYSA-N
XLogP1.97
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.97
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'}

Analyze 6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole
CID 79246153
4-[(6-nitroindazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664469
1-[(4-tert-butylphenyl)methyl]-6-nitroindazole
CID 16796352
1-[(3,6-dichloro-2-pyridinyl)methyl]-6-nitroindazole
CID 62892546
1-butyl-6-nitroindazole
CID 155169975
1-(5-chloropentyl)-6-nitroindazole
CID 43348333
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
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
5-[(6-nitroindazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397374
1-(6-nitroindazol-1-yl)butan-2-ol
CID 60884485
N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
CID 62465969

Frequently Asked Questions

What is the IUPAC name of 6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine (CID 79233120) is 6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine is Nc1cccc(Cn2ncc3ccc([N+](=O)[O-])cc32)n1.
What is the InChIKey of 6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine?
The InChIKey is BWFDQUUXVUXDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c14-13-3-1-2-10(16-13)8-17-12-6-11(18(19)20)5-4-9(12)7-15-17/h1-7H,8H2,(H2,14,16).
What are the key properties of 6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine?
6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine has a molecular weight of 269.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79233120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).