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

C9H12ClNO2 — CID 140970720

IUPACethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(Cl)=CC1C
InChIInChI=1S/C9H12ClNO2/c1-3-13-9(12)11-5-4-8(10)6-7(11)2/h4-7H,3H2,1-2H3
InChIKeyXTCNLZLTBMBPMB-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.48
Rot. Bonds1

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

ethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate (PubChem CID 140970720) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is ethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate
PubChem CID140970720
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Nameethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(Cl)=CC1C
InChIInChI=1S/C9H12ClNO2/c1-3-13-9(12)11-5-4-8(10)6-7(11)2/h4-7H,3H2,1-2H3
InChIKeyXTCNLZLTBMBPMB-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate (CID 140970720) is ethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate is CCOC(=O)N1C=CC(Cl)=CC1C.
What is the InChIKey of ethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate?
The InChIKey is XTCNLZLTBMBPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-3-13-9(12)11-5-4-8(10)6-7(11)2/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate?
ethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate has a molecular weight of 201.65 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-methyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 140970720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).