(2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate

C14H12ClNO3 — CID 72686983

IUPAC(2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCc1ccc(C=CC(=O)OCc2cccnc2Cl)o1
InChIInChI=1S/C14H12ClNO3/c1-10-4-5-12(19-10)6-7-13(17)18-9-11-3-2-8-16-14(11)15/h2-8H,9H2,1H3
InChIKeyCENGEKZDTJTPPW-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.39
Rot. Bonds4

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

(2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate (PubChem CID 72686983) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate
PubChem CID72686983
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name(2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCc1ccc(C=CC(=O)OCc2cccnc2Cl)o1
InChIInChI=1S/C14H12ClNO3/c1-10-4-5-12(19-10)6-7-13(17)18-9-11-3-2-8-16-14(11)15/h2-8H,9H2,1H3
InChIKeyCENGEKZDTJTPPW-UHFFFAOYSA-N
XLogP3.39
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate
CID 4539198
N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4988689
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate
CID 74265991
(7-methyl-2-oxochromen-4-yl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate
CID 3456159
[2-(carbamoylamino)-2-oxoethyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 3652907
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 28579583
(2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 11437090
2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 77003732
ethyl 5-[(2-chloro-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 163380731
2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine
CID 62470687
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 4598833
ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate
CID 58678578

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate?
The IUPAC name of (2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate (CID 72686983) is (2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for (2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate?
The canonical SMILES for (2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate is Cc1ccc(C=CC(=O)OCc2cccnc2Cl)o1.
What is the InChIKey of (2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate?
The InChIKey is CENGEKZDTJTPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-10-4-5-12(19-10)6-7-13(17)18-9-11-3-2-8-16-14(11)15/h2-8H,9H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate?
(2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate has a molecular weight of 277.71 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 72686983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).