methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate

C10H14ClNO2 — CID 21348542

IUPACmethyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate
SMILESCCCC1C=C(Cl)C=CN1C(=O)OC
InChIInChI=1S/C10H14ClNO2/c1-3-4-9-7-8(11)5-6-12(9)10(13)14-2/h5-7,9H,3-4H2,1-2H3
InChIKeyUFGYCOYTISWYNR-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.87
Rot. Bonds2

About methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate

methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate (PubChem CID 21348542) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate
PubChem CID21348542
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Namemethyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate
SMILESCCCC1C=C(Cl)C=CN1C(=O)OC
InChIInChI=1S/C10H14ClNO2/c1-3-4-9-7-8(11)5-6-12(9)10(13)14-2/h5-7,9H,3-4H2,1-2H3
InChIKeyUFGYCOYTISWYNR-UHFFFAOYSA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate (CID 21348542) is methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate is CCCC1C=C(Cl)C=CN1C(=O)OC.
What is the InChIKey of methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate?
The InChIKey is UFGYCOYTISWYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-3-4-9-7-8(11)5-6-12(9)10(13)14-2/h5-7,9H,3-4H2,1-2H3.
What are the key properties of methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate?
methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate has a molecular weight of 215.68 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-propyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 21348542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).