6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid

C13H17N3O5 — CID 102632500

IUPAC6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid
SMILESCN(c1ncc(C(=O)O)cc1[N+](=O)[O-])C1CCCCC1O
InChIInChI=1S/C13H17N3O5/c1-15(9-4-2-3-5-11(9)17)12-10(16(20)21)6-8(7-14-12)13(18)19/h6-7,9,11,17H,2-5H2,1H3,(H,18,19)
InChIKeyFJLPQPYSGMTURB-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.43
Rot. Bonds4

About 6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid

6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid (PubChem CID 102632500) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid
PubChem CID102632500
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid
SMILESCN(c1ncc(C(=O)O)cc1[N+](=O)[O-])C1CCCCC1O
InChIInChI=1S/C13H17N3O5/c1-15(9-4-2-3-5-11(9)17)12-10(16(20)21)6-8(7-14-12)13(18)19/h6-7,9,11,17H,2-5H2,1H3,(H,18,19)
InChIKeyFJLPQPYSGMTURB-UHFFFAOYSA-N
XLogP1.43
TPSA116.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-methyl-6-[methyl-(2-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 80632415
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-5-nitropyridine-3-carboxylic acid
CID 81447197
6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid
CID 81441566
6-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-nitropyridine-3-carboxylic acid
CID 81448116
6-[methyl(2-methylprop-2-enyl)amino]-5-nitropyridine-3-carboxylic acid
CID 113498631
6-[cyclopropyl(3-methylbutyl)amino]-5-nitropyridine-3-carboxylic acid
CID 81448193
6-[(2-hydroxycyclohexyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81448011
2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid
CID 102632507
6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80631026
6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81437895
6-[(3,3-dimethylcyclopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114546978
2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635970

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid (CID 102632500) is 6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid is CN(c1ncc(C(=O)O)cc1[N+](=O)[O-])C1CCCCC1O.
What is the InChIKey of 6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid?
The InChIKey is FJLPQPYSGMTURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-15(9-4-2-3-5-11(9)17)12-10(16(20)21)6-8(7-14-12)13(18)19/h6-7,9,11,17H,2-5H2,1H3,(H,18,19).
What are the key properties of 6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid?
6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 102632500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).