3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid

C11H15ClN2O3 — CID 107062369

IUPAC3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid
SMILESCOCC(C)N(C)c1nccc(C(=O)O)c1Cl
InChIInChI=1S/C11H15ClN2O3/c1-7(6-17-3)14(2)10-9(12)8(11(15)16)4-5-13-10/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyWZWBHZPPCTVKRY-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.90
Rot. Bonds5

About 3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid

3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid (PubChem CID 107062369) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid
PubChem CID107062369
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid
SMILESCOCC(C)N(C)c1nccc(C(=O)O)c1Cl
InChIInChI=1S/C11H15ClN2O3/c1-7(6-17-3)14(2)10-9(12)8(11(15)16)4-5-13-10/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyWZWBHZPPCTVKRY-UHFFFAOYSA-N
XLogP1.90
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062243
3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 107062181
3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062353
3-chloro-2-[2-(dimethylamino)ethyl-propylamino]pyridine-4-carboxylic acid
CID 107062432
3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 107062716
3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739406
3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid
CID 107062851
3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062384
4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244358
2-[1-methoxypropan-2-yl(methyl)amino]-3-methylbenzoic acid
CID 107112082
5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid
CID 115490822
3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106162707

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid (CID 107062369) is 3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid is COCC(C)N(C)c1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid?
The InChIKey is WZWBHZPPCTVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-7(6-17-3)14(2)10-9(12)8(11(15)16)4-5-13-10/h4-5,7H,6H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid?
3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid has a molecular weight of 258.70 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).