4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde

C14H15BrFNO — CID 156523605

IUPAC4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde
SMILESCC1=CN(c2cc(Br)cc(F)c2C=O)CCC1C
InChIInChI=1S/C14H15BrFNO/c1-9-3-4-17(7-10(9)2)14-6-11(15)5-13(16)12(14)8-18/h5-9H,3-4H2,1-2H3
InChIKeyMQXHNZKXWDRMQT-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.15
Rot. Bonds2

About 4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde

4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde (PubChem CID 156523605) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is 4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde
PubChem CID156523605
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC Name4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde
SMILESCC1=CN(c2cc(Br)cc(F)c2C=O)CCC1C
InChIInChI=1S/C14H15BrFNO/c1-9-3-4-17(7-10(9)2)14-6-11(15)5-13(16)12(14)8-18/h5-9H,3-4H2,1-2H3
InChIKeyMQXHNZKXWDRMQT-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.15
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 4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde?
The IUPAC name of 4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde (CID 156523605) is 4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde.
What is the SMILES notation for 4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde?
The canonical SMILES for 4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde is CC1=CN(c2cc(Br)cc(F)c2C=O)CCC1C.
What is the InChIKey of 4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde?
The InChIKey is MQXHNZKXWDRMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-9-3-4-17(7-10(9)2)14-6-11(15)5-13(16)12(14)8-18/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde?
4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde has a molecular weight of 312.18 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4,5-dimethyl-3,4-dihydro-2H-pyridin-1-yl)-6-fluorobenzaldehyde is sourced from PubChem (CID 156523605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).