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

C10H10ClNO2 — CID 58678578

IUPACethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ncccc1Cl
InChIInChI=1S/C10H10ClNO2/c1-2-14-10(13)6-5-9-8(11)4-3-7-12-9/h3-7H,2H2,1H3
InChIKeySFTOCGFKWGGYSL-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.31
Rot. Bonds3

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

ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate (PubChem CID 58678578) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate
PubChem CID58678578
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Nameethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ncccc1Cl
InChIInChI=1S/C10H10ClNO2/c1-2-14-10(13)6-5-9-8(11)4-3-7-12-9/h3-7H,2H2,1H3
InChIKeySFTOCGFKWGGYSL-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051602
ethyl (E)-3-(3-methoxy-2-pyridinyl)prop-2-enoate
CID 15110923
ethyl (E)-3-(2-chloro-6-methylphenyl)prop-2-enoate
CID 91755247
ethyl (E)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoate
CID 175668642
ethyl 3-(2-chloro-6-fluorophenyl)prop-2-enoate
CID 67314943
methyl 4-(3-chloro-2-pyridinyl)but-3-enoate
CID 170500349
ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate
CID 169481281
ethyl (E)-3-(2-chloro-6-nitrophenyl)prop-2-enoate
CID 101211671
ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate
CID 76681112
ethyl (E)-3-[4-(2,6-dichlorophenoxy)-6-oxo-1H-pyrimidin-5-yl]prop-2-enoate
CID 56673622
S-[3-(3-chloro-2-pyridinyl)prop-2-enyl] ethanethioate
CID 169456653
ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate?
The IUPAC name of ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate (CID 58678578) is ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate is CCOC(=O)C=Cc1ncccc1Cl.
What is the InChIKey of ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate?
The InChIKey is SFTOCGFKWGGYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-2-14-10(13)6-5-9-8(11)4-3-7-12-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate?
ethyl 3-(3-chloro-2-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 3-(3-chloro-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 58678578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).