3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol

C16H13N3O4 — CID 5060153

IUPAC3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1cc([N+](=O)[O-])ccc1/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C16H13N3O4/c1-23-15-8-10(19(21)22)6-7-14(15)17-9-12-11-4-2-3-5-13(11)18-16(12)20/h2-9,18,20H,1H3/b17-9+
InChIKeyMYDHYEBWLUXELV-RQZCQDPDSA-N
MW311.30 g/mol
LogP3.54
Rot. Bonds4

About 3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol

3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 5060153) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol
PubChem CID5060153
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1cc([N+](=O)[O-])ccc1/N=C/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C16H13N3O4/c1-23-15-8-10(19(21)22)6-7-14(15)17-9-12-11-4-2-3-5-13(11)18-16(12)20/h2-9,18,20H,1H3/b17-9+
InChIKeyMYDHYEBWLUXELV-RQZCQDPDSA-N
XLogP3.54
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135581614
6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 137006458
2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol
CID 4305611
3-hydroxy-2-[(2-methoxy-4-nitrophenyl)iminomethyl]-5,5-dimethylcyclohex-2-en-1-one
CID 135401765
1,3-diethyl-6-hydroxy-5-[(2-methoxy-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione
CID 4624154
N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine
CID 3058440
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
CID 2859784
3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605514

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol (CID 5060153) is 3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol is COc1cc([N+](=O)[O-])ccc1/N=C/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is MYDHYEBWLUXELV-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-23-15-8-10(19(21)22)6-7-14(15)17-9-12-11-4-2-3-5-13(11)18-16(12)20/h2-9,18,20H,1H3/b17-9+.
What are the key properties of 3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol?
3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 311.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 5060153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).