5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid

C14H21ClN2O3 — CID 115505424

IUPAC5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid
SMILESCC(C)N(CCOc1ncc(C(=O)O)cc1Cl)C(C)C
InChIInChI=1S/C14H21ClN2O3/c1-9(2)17(10(3)4)5-6-20-13-12(15)7-11(8-16-13)14(18)19/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyQLGVCFNXVHJUHP-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.93
Rot. Bonds7

About 5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid

5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid (PubChem CID 115505424) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid
PubChem CID115505424
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid
SMILESCC(C)N(CCOc1ncc(C(=O)O)cc1Cl)C(C)C
InChIInChI=1S/C14H21ClN2O3/c1-9(2)17(10(3)4)5-6-20-13-12(15)7-11(8-16-13)14(18)19/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyQLGVCFNXVHJUHP-UHFFFAOYSA-N
XLogP2.93
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 103583744
5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid
CID 63686910
6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid
CID 60903616
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505427
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxamide
CID 115505405
5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid
CID 43127392
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 83268152
4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid
CID 115505423
5-chloro-6-(4-methylpentoxycarbonyl)pyridine-3-carboxylic acid
CID 129137214

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid (CID 115505424) is 5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid is CC(C)N(CCOc1ncc(C(=O)O)cc1Cl)C(C)C.
What is the InChIKey of 5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid?
The InChIKey is QLGVCFNXVHJUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-9(2)17(10(3)4)5-6-20-13-12(15)7-11(8-16-13)14(18)19/h7-10H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid?
5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid has a molecular weight of 300.79 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 115505424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).