methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate

C10H10ClNO2 — CID 169477730

IUPACmethyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C=CCCl)nc1
InChIInChI=1S/C10H10ClNO2/c1-14-10(13)8-4-5-9(12-7-8)3-2-6-11/h2-5,7H,6H2,1H3
InChIKeyIFLFZJBMVWASPQ-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.12
Rot. Bonds3

About methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate

methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate (PubChem CID 169477730) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate
PubChem CID169477730
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Namemethyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C=CCCl)nc1
InChIInChI=1S/C10H10ClNO2/c1-14-10(13)8-4-5-9(12-7-8)3-2-6-11/h2-5,7H,6H2,1H3
InChIKeyIFLFZJBMVWASPQ-UHFFFAOYSA-N
XLogP2.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate
CID 11129341
methyl 3-(3-chloroprop-1-enyl)-4-methoxybenzoate
CID 169478133
methyl 2-(4-chlorobut-1-enyl)pyridine-4-carboxylate
CID 170499563
6-(3-chloroprop-1-enyl)pyridin-3-ol
CID 169476869
methyl 2-(3-chloroprop-1-enyl)-1,3-thiazole-5-carboxylate
CID 169477395
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
CID 31824869
methyl 2-chloro-5-(3-chloroprop-1-enyl)benzoate
CID 169477809
methyl 6-chloro-5-(3-sulfanylprop-1-enyl)pyridine-3-carboxylate
CID 169455794

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate (CID 169477730) is methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate is COC(=O)c1ccc(C=CCCl)nc1.
What is the InChIKey of methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate?
The InChIKey is IFLFZJBMVWASPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-14-10(13)8-4-5-9(12-7-8)3-2-6-11/h2-5,7H,6H2,1H3.
What are the key properties of methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate?
methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate has a molecular weight of 211.65 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate is sourced from PubChem (CID 169477730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).