2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid

C14H10BrNO2 — CID 126800632

IUPAC2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C=Cc2ccc(Br)cc2)c1
InChIInChI=1S/C14H10BrNO2/c15-12-4-1-10(2-5-12)3-6-13-9-11(14(17)18)7-8-16-13/h1-9H,(H,17,18)
InChIKeyVWSQTUNIKPIDLQ-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.71
Rot. Bonds3

About 2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid

2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid (PubChem CID 126800632) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid
PubChem CID126800632
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C=Cc2ccc(Br)cc2)c1
InChIInChI=1S/C14H10BrNO2/c15-12-4-1-10(2-5-12)3-6-13-9-11(14(17)18)7-8-16-13/h1-9H,(H,17,18)
InChIKeyVWSQTUNIKPIDLQ-UHFFFAOYSA-N
XLogP3.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid
CID 167841931
2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid
CID 170799749
2-(4-acetylsulfanylbut-1-enyl)pyridine-4-carboxylic acid
CID 170480181
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
5-[2-[4-[2-(3,5-dicarboxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,3-dicarboxylic acid
CID 5246292
2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid
CID 166282905
2-[4-[(E)-2-anthracen-2-ylethenyl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid
CID 126729563
2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 55025543
2-[3-(3-bromophenyl)prop-2-enoylamino]pyridine-4-carboxylic acid
CID 77037440
4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751018
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
4-bromobenzoic acid;copper
CID 67824318

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid (CID 126800632) is 2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(C=Cc2ccc(Br)cc2)c1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid?
The InChIKey is VWSQTUNIKPIDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-12-4-1-10(2-5-12)3-6-13-9-11(14(17)18)7-8-16-13/h1-9H,(H,17,18).
What are the key properties of 2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid?
2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid has a molecular weight of 304.14 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 126800632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).