methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate

C10H10ClNO2 — CID 44517078

IUPACmethyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C=C\c1cc(C)cnc1Cl
InChIInChI=1S/C10H10ClNO2/c1-7-5-8(10(11)12-6-7)3-4-9(13)14-2/h3-6H,1-2H3/b4-3-
InChIKeyKNMMNFCPGOFVTG-ARJAWSKDSA-N
MW211.65 g/mol
LogP2.23
Rot. Bonds2

About methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate

methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate (PubChem CID 44517078) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate
PubChem CID44517078
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Namemethyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C=C\c1cc(C)cnc1Cl
InChIInChI=1S/C10H10ClNO2/c1-7-5-8(10(11)12-6-7)3-4-9(13)14-2/h3-6H,1-2H3/b4-3-
InChIKeyKNMMNFCPGOFVTG-ARJAWSKDSA-N
XLogP2.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate (CID 44517078) is methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate is COC(=O)/C=C\c1cc(C)cnc1Cl.
What is the InChIKey of methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate?
The InChIKey is KNMMNFCPGOFVTG-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-7-5-8(10(11)12-6-7)3-4-9(13)14-2/h3-6H,1-2H3/b4-3-.
What are the key properties of methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate?
methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate has a molecular weight of 211.65 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 44517078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).