5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid

C13H17ClN2O3 — CID 114112972

IUPAC5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid
SMILESCOCCC1(CNc2cc(C(=O)O)c(Cl)cn2)CC1
InChIInChI=1S/C13H17ClN2O3/c1-19-5-4-13(2-3-13)8-16-11-6-9(12(17)18)10(14)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyAALZKPLSWDBETI-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.66
Rot. Bonds7

About 5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid

5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid (PubChem CID 114112972) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid
PubChem CID114112972
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid
SMILESCOCCC1(CNc2cc(C(=O)O)c(Cl)cn2)CC1
InChIInChI=1S/C13H17ClN2O3/c1-19-5-4-13(2-3-13)8-16-11-6-9(12(17)18)10(14)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyAALZKPLSWDBETI-UHFFFAOYSA-N
XLogP2.66
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid (CID 114112972) is 5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid is COCCC1(CNc2cc(C(=O)O)c(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid?
The InChIKey is AALZKPLSWDBETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-19-5-4-13(2-3-13)8-16-11-6-9(12(17)18)10(14)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid?
5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114112972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).