methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate

C14H10FNO3 — CID 86674254

IUPACmethyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(F)ccc2C=O)cn1
InChIInChI=1S/C14H10FNO3/c1-19-14(18)13-5-3-9(7-16-13)12-6-11(15)4-2-10(12)8-17/h2-8H,1H3
InChIKeyBUMPBVQDRSJJHU-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.49
Rot. Bonds3

About methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate

methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate (PubChem CID 86674254) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate
PubChem CID86674254
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Namemethyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(F)ccc2C=O)cn1
InChIInChI=1S/C14H10FNO3/c1-19-14(18)13-5-3-9(7-16-13)12-6-11(15)4-2-10(12)8-17/h2-8H,1H3
InChIKeyBUMPBVQDRSJJHU-UHFFFAOYSA-N
XLogP2.49
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde
CID 160595364
methyl 5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxylate
CID 90103011
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate
CID 170838684
methyl 6-fluoro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 6918825
methyl (E)-3-amino-2-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enoate
CID 176959338
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 5-chloropyridine-2-carboxylate
CID 11298216

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate (CID 86674254) is methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate is COC(=O)c1ccc(-c2cc(F)ccc2C=O)cn1.
What is the InChIKey of methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate?
The InChIKey is BUMPBVQDRSJJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c1-19-14(18)13-5-3-9(7-16-13)12-6-11(15)4-2-10(12)8-17/h2-8H,1H3.
What are the key properties of methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate?
methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate has a molecular weight of 259.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 86674254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).