3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid

C12H17ClN2O2 — CID 107062243

IUPAC3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid
SMILESCCN(CC(C)C)c1nccc(C(=O)O)c1Cl
InChIInChI=1S/C12H17ClN2O2/c1-4-15(7-8(2)3)11-10(13)9(12(16)17)5-6-14-11/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyCMNVAUAPHKDACG-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.92
Rot. Bonds5

About 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid

3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid (PubChem CID 107062243) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid
PubChem CID107062243
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid
SMILESCCN(CC(C)C)c1nccc(C(=O)O)c1Cl
InChIInChI=1S/C12H17ClN2O2/c1-4-15(7-8(2)3)11-10(13)9(12(16)17)5-6-14-11/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyCMNVAUAPHKDACG-UHFFFAOYSA-N
XLogP2.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062353
3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062384
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
CID 107060104
3-chloro-2-[2-(dimethylamino)ethyl-propylamino]pyridine-4-carboxylic acid
CID 107062432
3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid
CID 79470438
3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid
CID 107062369
3-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062367
2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62701818
3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 107062181
3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 107062922
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid
CID 61341531

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid (CID 107062243) is 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid is CCN(CC(C)C)c1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid?
The InChIKey is CMNVAUAPHKDACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-4-15(7-8(2)3)11-10(13)9(12(16)17)5-6-14-11/h5-6,8H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid?
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid has a molecular weight of 256.73 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).