propyl 2-chloropyridine-4-carboxylate

C9H10ClNO2 — CID 24723709

IUPACpropyl 2-chloropyridine-4-carboxylate
SMILESCCCOC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C9H10ClNO2/c1-2-5-13-9(12)7-3-4-11-8(10)6-7/h3-4,6H,2,5H2,1H3
InChIKeyOZRPPCASEOPQMN-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.30
Rot. Bonds3

About propyl 2-chloropyridine-4-carboxylate

propyl 2-chloropyridine-4-carboxylate (PubChem CID 24723709) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is propyl 2-chloropyridine-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-chloropyridine-4-carboxylate
PubChem CID24723709
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Namepropyl 2-chloropyridine-4-carboxylate
SMILESCCCOC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C9H10ClNO2/c1-2-5-13-9(12)7-3-4-11-8(10)6-7/h3-4,6H,2,5H2,1H3
InChIKeyOZRPPCASEOPQMN-UHFFFAOYSA-N
XLogP2.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

butanamide;2-chloropyridine-4-carboxamide
CID 174570819
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 23971506
1-(2-chloro-4-pyridinyl)-2,2-diethoxyethanone
CID 162417624
(2-oxo-2-pyrrolidin-1-ylethyl) 2-chloropyridine-4-carboxylate
CID 23773721
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 23831358
1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one
CID 24723737
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
butyl 2-(dimethylamino)pyridine-4-carboxylate
CID 78968867
2-(4-heptoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
CID 158719684
2-(4-hexoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
CID 158415577
octyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325028

Frequently Asked Questions

What is the IUPAC name of propyl 2-chloropyridine-4-carboxylate?
The IUPAC name of propyl 2-chloropyridine-4-carboxylate (CID 24723709) is propyl 2-chloropyridine-4-carboxylate.
What is the SMILES notation for propyl 2-chloropyridine-4-carboxylate?
The canonical SMILES for propyl 2-chloropyridine-4-carboxylate is CCCOC(=O)c1ccnc(Cl)c1.
What is the InChIKey of propyl 2-chloropyridine-4-carboxylate?
The InChIKey is OZRPPCASEOPQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-2-5-13-9(12)7-3-4-11-8(10)6-7/h3-4,6H,2,5H2,1H3.
What are the key properties of propyl 2-chloropyridine-4-carboxylate?
propyl 2-chloropyridine-4-carboxylate has a molecular weight of 199.64 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-chloropyridine-4-carboxylate is sourced from PubChem (CID 24723709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).