(E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid

C14H10FNO2 — CID 46315662

IUPAC(E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1cccc(-c2ccncc2)c1F
InChIInChI=1S/C14H10FNO2/c15-14-11(4-5-13(17)18)2-1-3-12(14)10-6-8-16-9-7-10/h1-9H,(H,17,18)/b5-4+
InChIKeyKGYUBNSEJLPBCB-SNAWJCMRSA-N
MW243.24 g/mol
LogP2.99
Rot. Bonds3

About (E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid

(E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid (PubChem CID 46315662) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is (E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid
PubChem CID46315662
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name(E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1cccc(-c2ccncc2)c1F
InChIInChI=1S/C14H10FNO2/c15-14-11(4-5-13(17)18)2-1-3-12(14)10-6-8-16-9-7-10/h1-9H,(H,17,18)/b5-4+
InChIKeyKGYUBNSEJLPBCB-SNAWJCMRSA-N
XLogP2.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-pyridin-4-ylphenyl)prop-2-enoic acid
CID 175341488
3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid
CID 75177433
(Z)-3-(2-phenylphenyl)prop-2-enoic acid
CID 19261531
3-(2-fluoro-5-pyridin-4-ylphenyl)prop-2-enoic acid
CID 75177447
3-(2-fluoro-3-iodophenyl)prop-2-enoic acid
CID 175002597
(E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid
CID 135366690
(E)-3-isoquinolin-8-ylprop-2-enoic acid
CID 82580096
(E)-3-(3-fluoro-2-methoxy-4-pyridinyl)prop-2-enoic acid
CID 130506861
3-(2-fluoro-3-pyridin-4-ylphenyl)pyridine
CID 46316510
(E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid
CID 19926633
(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid
CID 170872372
(Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid
CID 134627735

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid (CID 46315662) is (E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid is O=C(O)/C=C/c1cccc(-c2ccncc2)c1F.
What is the InChIKey of (E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid?
The InChIKey is KGYUBNSEJLPBCB-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-14-11(4-5-13(17)18)2-1-3-12(14)10-6-8-16-9-7-10/h1-9H,(H,17,18)/b5-4+.
What are the key properties of (E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid?
(E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid has a molecular weight of 243.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid is sourced from PubChem (CID 46315662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).