methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate

C10H7NO3 — CID 144560090

IUPACmethyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate
SMILESCOC(=O)C#Cc1cccc(C=O)n1
InChIInChI=1S/C10H7NO3/c1-14-10(13)6-5-8-3-2-4-9(7-12)11-8/h2-4,7H,1H3
InChIKeyQPWGHSCCMAGVMN-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.42
Rot. Bonds1

About methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate

methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate (PubChem CID 144560090) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate.

Molecular Properties

Compound Namemethyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate
PubChem CID144560090
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Namemethyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate
SMILESCOC(=O)C#Cc1cccc(C=O)n1
InChIInChI=1S/C10H7NO3/c1-14-10(13)6-5-8-3-2-4-9(7-12)11-8/h2-4,7H,1H3
InChIKeyQPWGHSCCMAGVMN-UHFFFAOYSA-N
XLogP0.42
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3-formylphenyl)prop-2-ynoate
CID 122242925
methyl 3-(6-methoxypyridazin-3-yl)prop-2-ynoate
CID 99982734
6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde
CID 86013338
methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate
CID 122242905
methyl 3-(5-cyano-2-pyridinyl)prop-2-ynoate
CID 122242860
(6-formyl-2-pyridinyl)carbamic acid
CID 87302689
4-(6-methyl-2-pyridinyl)but-3-yn-2-one
CID 68576773
6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde
CID 4975903
methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane)
CID 134899942
CID 89411832
CID 89411832
methyl 3-(3-propylphenyl)prop-2-ynoate
CID 116545604
6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde
CID 2761008

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate?
The IUPAC name of methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate (CID 144560090) is methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate.
What is the SMILES notation for methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate?
The canonical SMILES for methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate is COC(=O)C#Cc1cccc(C=O)n1.
What is the InChIKey of methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate?
The InChIKey is QPWGHSCCMAGVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c1-14-10(13)6-5-8-3-2-4-9(7-12)11-8/h2-4,7H,1H3.
What are the key properties of methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate?
methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate has a molecular weight of 189.17 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-formyl-2-pyridinyl)prop-2-ynoate is sourced from PubChem (CID 144560090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).