2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde

C13H10FNO — CID 66280367

IUPAC2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde
SMILESCc1cnccc1-c1ccc(F)c(C=O)c1
InChIInChI=1S/C13H10FNO/c1-9-7-15-5-4-12(9)10-2-3-13(14)11(6-10)8-16/h2-8H,1H3
InChIKeyQRRMFIWTCJSZCN-UHFFFAOYSA-N
MW215.23 g/mol
LogP3.01
Rot. Bonds2

About 2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde

2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde (PubChem CID 66280367) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde
PubChem CID66280367
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde
SMILESCc1cnccc1-c1ccc(F)c(C=O)c1
InChIInChI=1S/C13H10FNO/c1-9-7-15-5-4-12(9)10-2-3-13(14)11(6-10)8-16/h2-8H,1H3
InChIKeyQRRMFIWTCJSZCN-UHFFFAOYSA-N
XLogP3.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde?
The IUPAC name of 2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde (CID 66280367) is 2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde?
The canonical SMILES for 2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde is Cc1cnccc1-c1ccc(F)c(C=O)c1.
What is the InChIKey of 2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde?
The InChIKey is QRRMFIWTCJSZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c1-9-7-15-5-4-12(9)10-2-3-13(14)11(6-10)8-16/h2-8H,1H3.
What are the key properties of 2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde?
2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde has a molecular weight of 215.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde is sourced from PubChem (CID 66280367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).