ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate

C10H10ClNO2 — CID 19082033

IUPACethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1ccc(Cl)nc1
InChIInChI=1S/C10H10ClNO2/c1-3-14-10(13)7(2)8-4-5-9(11)12-6-8/h4-6H,2-3H2,1H3
InChIKeyXLLUCSFAUWLPNI-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.31
Rot. Bonds3

About ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate

ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate (PubChem CID 19082033) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate
PubChem CID19082033
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Nameethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1ccc(Cl)nc1
InChIInChI=1S/C10H10ClNO2/c1-3-14-10(13)7(2)8-4-5-9(11)12-6-8/h4-6H,2-3H2,1H3
InChIKeyXLLUCSFAUWLPNI-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-(6-chloropyridine-3-carbonyl)propanedioate
CID 165343935
ethyl 3-(6-chloro-3-pyridinyl)-3-oxo-2-(triphenyl-λ5-phosphanylidene)propanoate
CID 73356841
1-(6-chloro-3-pyridinyl)-4-(6-methyl-3-pyridinyl)butane-1,4-dione
CID 90363391
ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
CID 70039514
chloromethyl 6-chloropyridine-3-carboxylate
CID 22459863
ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
CID 124564561
diethyl 2-[[(6-chloro-3-pyridinyl)amino]methylidene]propanedioate
CID 619868
ethyl (Z)-2-benzoyl-3-(6-chloro-3-pyridinyl)prop-2-enoate
CID 86602399
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
ethyl (E)-3-(6-chloro-3-pyridinyl)-2-methylsulfonylprop-2-enoate
CID 135039152
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate?
The IUPAC name of ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate (CID 19082033) is ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate is C=C(C(=O)OCC)c1ccc(Cl)nc1.
What is the InChIKey of ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate?
The InChIKey is XLLUCSFAUWLPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-3-14-10(13)7(2)8-4-5-9(11)12-6-8/h4-6H,2-3H2,1H3.
What are the key properties of ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate?
ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate has a molecular weight of 211.65 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 19082033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).