2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid

C14H12BrNO3 — CID 152754583

IUPAC2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2oc(-c3ccc(Br)cc3)cc2C1
InChIInChI=1S/C14H12BrNO3/c15-11-3-1-9(2-4-11)13-7-10-8-16(14(17)18)6-5-12(10)19-13/h1-4,7H,5-6,8H2,(H,17,18)
InChIKeyUODSVMRDWZBJPS-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.75
Rot. Bonds1

About 2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid

2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid (PubChem CID 152754583) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid
PubChem CID152754583
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2oc(-c3ccc(Br)cc3)cc2C1
InChIInChI=1S/C14H12BrNO3/c15-11-3-1-9(2-4-11)13-7-10-8-16(14(17)18)6-5-12(10)19-13/h1-4,7H,5-6,8H2,(H,17,18)
InChIKeyUODSVMRDWZBJPS-UHFFFAOYSA-N
XLogP3.75
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(2-phenyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)ethanone
CID 166408897
N-[4-(5-acetyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-3-phenylpropanamide
CID 42785029
3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide
CID 42785017
N-[4-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-methylpropanamide
CID 3568013
N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide
CID 42785121
N-[4-(5-acetyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-3,5,5-trimethylhexanamide
CID 4126708
3-chloro-N-[4-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dimethylpropanamide
CID 42785120
N-[4-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide
CID 4104318
N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclobutanecarboxamide
CID 4522921
3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
CID 4614734
N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide
CID 42785019
2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid
CID 118902668

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid (CID 152754583) is 2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2oc(-c3ccc(Br)cc3)cc2C1.
What is the InChIKey of 2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid?
The InChIKey is UODSVMRDWZBJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c15-11-3-1-9(2-4-11)13-7-10-8-16(14(17)18)6-5-12(10)19-13/h1-4,7H,5-6,8H2,(H,17,18).
What are the key properties of 2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid?
2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid has a molecular weight of 322.16 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 152754583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).