methyl 4-chloro-6-formylpyridine-2-carboxylate

C8H6ClNO3 — CID 14083519

IUPACmethyl 4-chloro-6-formylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)cc(C=O)n1
InChIInChI=1S/C8H6ClNO3/c1-13-8(12)7-3-5(9)2-6(4-11)10-7/h2-4H,1H3
InChIKeyWAAHQQRGGDPHRO-UHFFFAOYSA-N
MW199.59 g/mol
LogP1.33
Rot. Bonds2

About methyl 4-chloro-6-formylpyridine-2-carboxylate

methyl 4-chloro-6-formylpyridine-2-carboxylate (PubChem CID 14083519) has the molecular formula C8H6ClNO3 and a molecular weight of 199.59 g/mol. Its IUPAC name is methyl 4-chloro-6-formylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6-formylpyridine-2-carboxylate
PubChem CID14083519
Molecular FormulaC8H6ClNO3
Molecular Weight199.59 g/mol
Exact Mass199.00
IUPAC Namemethyl 4-chloro-6-formylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)cc(C=O)n1
InChIInChI=1S/C8H6ClNO3/c1-13-8(12)7-3-5(9)2-6(4-11)10-7/h2-4H,1H3
InChIKeyWAAHQQRGGDPHRO-UHFFFAOYSA-N
XLogP1.33
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-formylpyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-6-formylpyridine-2-carboxylate (CID 14083519) is methyl 4-chloro-6-formylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-6-formylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-6-formylpyridine-2-carboxylate is COC(=O)c1cc(Cl)cc(C=O)n1.
What is the InChIKey of methyl 4-chloro-6-formylpyridine-2-carboxylate?
The InChIKey is WAAHQQRGGDPHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3/c1-13-8(12)7-3-5(9)2-6(4-11)10-7/h2-4H,1H3.
What are the key properties of methyl 4-chloro-6-formylpyridine-2-carboxylate?
methyl 4-chloro-6-formylpyridine-2-carboxylate has a molecular weight of 199.59 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6-formylpyridine-2-carboxylate is sourced from PubChem (CID 14083519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).