2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol

C10H13IN2O3 — CID 66064486

IUPAC2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13IN2O3/c1-10(2,6-14)12-8-4-3-7(11)5-9(8)13(15)16/h3-5,12,14H,6H2,1-2H3
InChIKeyHXLHPDOXGIGMIV-UHFFFAOYSA-N
MW336.13 g/mol
LogP2.38
Rot. Bonds4

About 2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol

2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol (PubChem CID 66064486) has the molecular formula C10H13IN2O3 and a molecular weight of 336.13 g/mol. Its IUPAC name is 2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol
PubChem CID66064486
Molecular FormulaC10H13IN2O3
Molecular Weight336.13 g/mol
Exact Mass336.00
IUPAC Name2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13IN2O3/c1-10(2,6-14)12-8-4-3-7(11)5-9(8)13(15)16/h3-5,12,14H,6H2,1-2H3
InChIKeyHXLHPDOXGIGMIV-UHFFFAOYSA-N
XLogP2.38
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

N-tert-butyl-4-iodo-2-nitroaniline
CID 162381506
2-(4-chloro-2-nitroanilino)-2-methylpropan-1-ol
CID 2829608
3-(4-iodo-2-nitroanilino)-4,4-dimethylpentan-1-ol
CID 106350920
2-methyl-2-(4-methyl-2-nitroanilino)propane-1,3-diol
CID 113336507
3-(4-bromo-2-nitroanilino)-3-methylbutan-1-ol
CID 113251660
N-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66082684
2-(4-iodo-2-nitroanilino)propanoic acid
CID 66064852
2,2-difluoro-3-(4-fluoro-5-methyl-2-nitroanilino)propan-1-ol
CID 106177984
N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine
CID 79106046
4-methyl-N-(2-methylbutan-2-yl)-2-nitroaniline
CID 115763646
3-(2,4-dinitroanilino)-2,2-difluoropropan-1-ol
CID 104858610
4-iodo-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 66064095

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol (CID 66064486) is 2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol is CC(C)(CO)Nc1ccc(I)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol?
The InChIKey is HXLHPDOXGIGMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O3/c1-10(2,6-14)12-8-4-3-7(11)5-9(8)13(15)16/h3-5,12,14H,6H2,1-2H3.
What are the key properties of 2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol?
2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol has a molecular weight of 336.13 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 66064486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).