5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid

C12H17ClN2O2 — CID 114919498

IUPAC5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCN(CC(C)(C)C)c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C12H17ClN2O2/c1-12(2,3)7-15(4)10-5-8(11(16)17)9(13)6-14-10/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyJBCDHFGLZBSDKG-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.92
Rot. Bonds3

About 5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid

5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid (PubChem CID 114919498) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid
PubChem CID114919498
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCN(CC(C)(C)C)c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C12H17ClN2O2/c1-12(2,3)7-15(4)10-5-8(11(16)17)9(13)6-14-10/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyJBCDHFGLZBSDKG-UHFFFAOYSA-N
XLogP2.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid
CID 114919354
5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919316
5-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylic acid
CID 114919353
5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 114919313
5-chloro-N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 114926105
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
CID 114919110
5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 114919450
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid
CID 114919807
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 106096927

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid (CID 114919498) is 5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid is CN(CC(C)(C)C)c1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid?
The InChIKey is JBCDHFGLZBSDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-12(2,3)7-15(4)10-5-8(11(16)17)9(13)6-14-10/h5-6H,7H2,1-4H3,(H,16,17).
What are the key properties of 5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid has a molecular weight of 256.73 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).