1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

C11H12ClN3O4 — CID 114046425

IUPAC1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ncc([N+](=O)[O-])cc2Cl)CCCC1
InChIInChI=1S/C11H12ClN3O4/c12-8-5-7(15(18)19)6-13-9(8)14-11(10(16)17)3-1-2-4-11/h5-6H,1-4H2,(H,13,14)(H,16,17)
InChIKeyGMYHNPBHDKUMQV-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.45
Rot. Bonds4

About 1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid

1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114046425) has the molecular formula C11H12ClN3O4 and a molecular weight of 285.69 g/mol. Its IUPAC name is 1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114046425
Molecular FormulaC11H12ClN3O4
Molecular Weight285.69 g/mol
Exact Mass285.05
IUPAC Name1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ncc([N+](=O)[O-])cc2Cl)CCCC1
InChIInChI=1S/C11H12ClN3O4/c12-8-5-7(15(18)19)6-13-9(8)14-11(10(16)17)3-1-2-4-11/h5-6H,1-4H2,(H,13,14)(H,16,17)
InChIKeyGMYHNPBHDKUMQV-UHFFFAOYSA-N
XLogP2.45
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.45
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

3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine
CID 103847594
1-[(5-nitropyrimidin-2-yl)amino]cycloheptane-1-carboxylic acid
CID 61292190
[1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 103721042
1-(5-chloro-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 115469344
1-[[(3-bromo-5-nitro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433261
1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid
CID 81164674
(2S)-2-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 120964337
1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43427424
1-(3-chloro-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 104835137
1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid
CID 61292165
1-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120539039
3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
CID 133377795

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 114046425) is 1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1(Nc2ncc([N+](=O)[O-])cc2Cl)CCCC1.
What is the InChIKey of 1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is GMYHNPBHDKUMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4/c12-8-5-7(15(18)19)6-13-9(8)14-11(10(16)17)3-1-2-4-11/h5-6H,1-4H2,(H,13,14)(H,16,17).
What are the key properties of 1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 285.69 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114046425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).