3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid

C13H17ClN2O3 — CID 107062851

IUPAC3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid
SMILESCN(CCOCC1CC1)c1nccc(C(=O)O)c1Cl
InChIInChI=1S/C13H17ClN2O3/c1-16(6-7-19-8-9-2-3-9)12-11(14)10(13(17)18)4-5-15-12/h4-5,9H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyFRQHMOUFZSMHJH-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.30
Rot. Bonds7

About 3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid

3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid (PubChem CID 107062851) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid
PubChem CID107062851
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid
SMILESCN(CCOCC1CC1)c1nccc(C(=O)O)c1Cl
InChIInChI=1S/C13H17ClN2O3/c1-16(6-7-19-8-9-2-3-9)12-11(14)10(13(17)18)4-5-15-12/h4-5,9H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyFRQHMOUFZSMHJH-UHFFFAOYSA-N
XLogP2.30
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-[methyl(pent-4-enyl)amino]pyridine-4-carboxylic acid
CID 107063051
3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 107062181
3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid
CID 107062369
6-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-nitropyridine-3-carboxylic acid
CID 81448116
3-chloro-2-[2-(dimethylamino)ethyl-propylamino]pyridine-4-carboxylic acid
CID 107062432
(E)-3-[6-[2-(cyclopropylmethoxy)ethyl-methylamino]-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80637834
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carboxylic acid
CID 107063382
3-chloro-4-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]benzoic acid
CID 102670015
3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062353
3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid
CID 81061551
(E)-3-[3-chloro-4-[2-(cyclopropylmethoxy)ethyl-methylamino]phenyl]prop-2-enoic acid
CID 81151186
ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate
CID 103748767

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid (CID 107062851) is 3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid is CN(CCOCC1CC1)c1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid?
The InChIKey is FRQHMOUFZSMHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-16(6-7-19-8-9-2-3-9)12-11(14)10(13(17)18)4-5-15-12/h4-5,9H,2-3,6-8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid?
3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).