6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid

C11H15N3O5 — CID 106136487

IUPAC6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid
SMILESCC(O)CCCNc1ncc(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-7(15)3-2-4-12-10-9(14(18)19)5-8(6-13-10)11(16)17/h5-7,15H,2-4H2,1H3,(H,12,13)(H,16,17)
InChIKeyBWDMVMJZYCDFBL-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.26
Rot. Bonds7

About 6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid

6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid (PubChem CID 106136487) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid
PubChem CID106136487
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid
SMILESCC(O)CCCNc1ncc(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-7(15)3-2-4-12-10-9(14(18)19)5-8(6-13-10)11(16)17/h5-7,15H,2-4H2,1H3,(H,12,13)(H,16,17)
InChIKeyBWDMVMJZYCDFBL-UHFFFAOYSA-N
XLogP1.26
TPSA125.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

6-[(5-hydroxy-4-methylpentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106161886
6-[(5-amino-5-oxopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106237764
5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107269289
6-[2-[methyl(propan-2-yl)amino]ethylamino]-5-nitropyridine-3-carboxylic acid
CID 81438518
6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
CID 81437835
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438118
6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
6-[2-(1-methylimidazol-2-yl)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 81447901
5-nitro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-3-carboxylic acid
CID 81446793
2-(4-hydroxypentylamino)-5-nitropyridine-3-carbonitrile
CID 107269311
6-[(4-methylphenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442087

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid (CID 106136487) is 6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid is CC(O)CCCNc1ncc(C(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of 6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid?
The InChIKey is BWDMVMJZYCDFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-7(15)3-2-4-12-10-9(14(18)19)5-8(6-13-10)11(16)17/h5-7,15H,2-4H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid?
6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 106136487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).