5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid

C15H23ClN2O2 — CID 114919822

IUPAC5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid
SMILESCCCCCC(C)(C)CNc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C15H23ClN2O2/c1-4-5-6-7-15(2,3)10-18-13-8-11(14(19)20)12(16)9-17-13/h8-9H,4-7,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyCPJPHOCIMWMEMM-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.45
Rot. Bonds8

About 5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid

5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid (PubChem CID 114919822) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid
PubChem CID114919822
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid
SMILESCCCCCC(C)(C)CNc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C15H23ClN2O2/c1-4-5-6-7-15(2,3)10-18-13-8-11(14(19)20)12(16)9-17-13/h8-9H,4-7,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyCPJPHOCIMWMEMM-UHFFFAOYSA-N
XLogP4.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Methylamino)pyridine-4-carboxylic acid
CID 6484235
2-(((4-Chlorophenyl)methyl)amino)-3-pyridinecarboxylic acid
CID 214597
5-Chloro-2-(cyclopropylamino)pyridine-4-carboxylic acid
CID 114919009
2-Chloro-6-(dimethylamino)isonicotinic acid
CID 21430354
2-((3-Hydroxypropyl)amino)-4-pyridinecarboxylic acid
CID 53408821
2-Acetamidopyridine-4-carboxylic acid
CID 3774466
2-(Ethylamino)pyridine-4-carboxylic acid
CID 23454818
Ethyl 2-amino-3-chloropyridine-4-carboxylate
CID 122164139
2-[(3-Fluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 28970945
2-Chloro-6-(diethylamino)pyridine-4-carboxylic acid
CID 236989
5-Chloro-6-(ethylamino)pyridine-3-carboxylic acid
CID 28400076
2-(Cyclobutylamino)pyridine-4-carboxylic acid hydrochloride
CID 122156810

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid (CID 114919822) is 5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid is CCCCCC(C)(C)CNc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid?
The InChIKey is CPJPHOCIMWMEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-5-6-7-15(2,3)10-18-13-8-11(14(19)20)12(16)9-17-13/h8-9H,4-7,10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid?
5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid has a molecular weight of 298.81 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).