methyl 4-(3-chloro-2-pyridinyl)but-3-enoate

C10H10ClNO2 — CID 170500349

IUPACmethyl 4-(3-chloro-2-pyridinyl)but-3-enoate
SMILESCOC(=O)CC=Cc1ncccc1Cl
InChIInChI=1S/C10H10ClNO2/c1-14-10(13)6-2-5-9-8(11)4-3-7-12-9/h2-5,7H,6H2,1H3
InChIKeyLEPPRNVYCCUJLE-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.31
Rot. Bonds3

About methyl 4-(3-chloro-2-pyridinyl)but-3-enoate

methyl 4-(3-chloro-2-pyridinyl)but-3-enoate (PubChem CID 170500349) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is methyl 4-(3-chloro-2-pyridinyl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-(3-chloro-2-pyridinyl)but-3-enoate
PubChem CID170500349
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Namemethyl 4-(3-chloro-2-pyridinyl)but-3-enoate
SMILESCOC(=O)CC=Cc1ncccc1Cl
InChIInChI=1S/C10H10ClNO2/c1-14-10(13)6-2-5-9-8(11)4-3-7-12-9/h2-5,7H,6H2,1H3
InChIKeyLEPPRNVYCCUJLE-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

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Related Compounds

methyl 4-(3-methyl-2-pyridinyl)but-3-enoate
CID 170500371
methyl 4-(3-amino-2-pyridinyl)but-3-enoate
CID 170500334
methyl 4-(3-nitro-2-pyridinyl)but-3-enoate
CID 170500856
3-(4-methoxy-4-oxobut-1-enyl)pyridine-2-carboxylic acid
CID 170500957
S-[3-(3-chloro-2-pyridinyl)prop-2-enyl] ethanethioate
CID 169456653
tert-butyl N-[4-(3-chloro-2-pyridinyl)but-3-enyl]carbamate
CID 170489906
ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate
CID 58678578
methyl (E)-4-pyridin-3-ylbut-3-enoate
CID 11513847
ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate
CID 170795623
methyl 4-(5-nitroquinolin-8-yl)but-3-enoate
CID 170501830
methyl 4-(3,4,5-trichlorophenyl)but-3-enoate
CID 170500693
methyl 4-(5-methyl-2-pyridinyl)but-3-enoate
CID 170500370

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chloro-2-pyridinyl)but-3-enoate?
The IUPAC name of methyl 4-(3-chloro-2-pyridinyl)but-3-enoate (CID 170500349) is methyl 4-(3-chloro-2-pyridinyl)but-3-enoate.
What is the SMILES notation for methyl 4-(3-chloro-2-pyridinyl)but-3-enoate?
The canonical SMILES for methyl 4-(3-chloro-2-pyridinyl)but-3-enoate is COC(=O)CC=Cc1ncccc1Cl.
What is the InChIKey of methyl 4-(3-chloro-2-pyridinyl)but-3-enoate?
The InChIKey is LEPPRNVYCCUJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-14-10(13)6-2-5-9-8(11)4-3-7-12-9/h2-5,7H,6H2,1H3.
What are the key properties of methyl 4-(3-chloro-2-pyridinyl)but-3-enoate?
methyl 4-(3-chloro-2-pyridinyl)but-3-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 methyl 4-(3-chloro-2-pyridinyl)but-3-enoate is sourced from PubChem (CID 170500349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).