1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid

C10H11N3O4 — CID 81164674

IUPAC1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Nc2cc([N+](=O)[O-])ccn2)CCC1
InChIInChI=1S/C10H11N3O4/c14-9(15)10(3-1-4-10)12-8-6-7(13(16)17)2-5-11-8/h2,5-6H,1,3-4H2,(H,11,12)(H,14,15)
InChIKeyZUXZJRDSCZOMAW-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.41
Rot. Bonds4

About 1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid

1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81164674) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81164674
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Nc2cc([N+](=O)[O-])ccn2)CCC1
InChIInChI=1S/C10H11N3O4/c14-9(15)10(3-1-4-10)12-8-6-7(13(16)17)2-5-11-8/h2,5-6H,1,3-4H2,(H,11,12)(H,14,15)
InChIKeyZUXZJRDSCZOMAW-UHFFFAOYSA-N
XLogP1.41
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
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

1-methyl-2-[(4-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 83214225
1-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid
CID 81165359
[3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 62526364
1-[(5-nitropyrimidin-2-yl)amino]cycloheptane-1-carboxylic acid
CID 61292190
1-[2-(difluoromethyl)-4-nitroanilino]cyclopentane-1-carboxylic acid
CID 63749161
1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 114046425
3-[(4-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 55146536
1-[(4-nitro-2-pyridinyl)amino]butan-2-one
CID 159524521
1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 79827812
1-[[2-(3-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910172
1-(2,6-difluoro-4-nitroanilino)cyclopropane-1-carboxylic acid
CID 114048043
1-(5-bromo-2-nitroanilino)cyclopentane-1-carboxylic acid
CID 65341991

Frequently Asked Questions

What is the IUPAC name of 1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid (CID 81164674) is 1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid is O=C(O)C1(Nc2cc([N+](=O)[O-])ccn2)CCC1.
What is the InChIKey of 1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is ZUXZJRDSCZOMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-9(15)10(3-1-4-10)12-8-6-7(13(16)17)2-5-11-8/h2,5-6H,1,3-4H2,(H,11,12)(H,14,15).
What are the key properties of 1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid?
1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).