(2-fluoropyrimidin-4-yl) prop-2-enoate

C7H5FN2O2 — CID 170562816

IUPAC(2-fluoropyrimidin-4-yl) prop-2-enoate
SMILESC=CC(=O)Oc1ccnc(F)n1
InChIInChI=1S/C7H5FN2O2/c1-2-6(11)12-5-3-4-9-7(8)10-5/h2-4H,1H2
InChIKeyMBFKOQGXDKHRBA-UHFFFAOYSA-N
MW168.13 g/mol
LogP0.71
Rot. Bonds2

About (2-fluoropyrimidin-4-yl) prop-2-enoate

(2-fluoropyrimidin-4-yl) prop-2-enoate (PubChem CID 170562816) has the molecular formula C7H5FN2O2 and a molecular weight of 168.13 g/mol. Its IUPAC name is (2-fluoropyrimidin-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(2-fluoropyrimidin-4-yl) prop-2-enoate
PubChem CID170562816
Molecular FormulaC7H5FN2O2
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name(2-fluoropyrimidin-4-yl) prop-2-enoate
SMILESC=CC(=O)Oc1ccnc(F)n1
InChIInChI=1S/C7H5FN2O2/c1-2-6(11)12-5-3-4-9-7(8)10-5/h2-4H,1H2
InChIKeyMBFKOQGXDKHRBA-UHFFFAOYSA-N
XLogP0.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-fluoro-3-pyridinyl) prop-2-enoate
CID 174653164
quinolin-4-yl prop-2-enoate
CID 59502728
2-fluoro-4-phenoxypyrimidine
CID 54296073
(3-fluorophenyl) prop-2-enoate
CID 21098293
(2-methylpyrimidin-4-yl) carbamate
CID 119083967
2-fluoropyrimidine-4-carbaldehyde
CID 84647879
(2,6-dimethoxy-3-pyridinyl) prop-2-enoate
CID 174450534
[3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate
CID 175171245
[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 67472311
(4-prop-2-enoyloxyphenyl)phosphonic acid
CID 69294557
(4-bromo-2-fluorophenyl) prop-2-enoate
CID 174643250
(4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate
CID 175149649

Frequently Asked Questions

What is the IUPAC name of (2-fluoropyrimidin-4-yl) prop-2-enoate?
The IUPAC name of (2-fluoropyrimidin-4-yl) prop-2-enoate (CID 170562816) is (2-fluoropyrimidin-4-yl) prop-2-enoate.
What is the SMILES notation for (2-fluoropyrimidin-4-yl) prop-2-enoate?
The canonical SMILES for (2-fluoropyrimidin-4-yl) prop-2-enoate is C=CC(=O)Oc1ccnc(F)n1.
What is the InChIKey of (2-fluoropyrimidin-4-yl) prop-2-enoate?
The InChIKey is MBFKOQGXDKHRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O2/c1-2-6(11)12-5-3-4-9-7(8)10-5/h2-4H,1H2.
What are the key properties of (2-fluoropyrimidin-4-yl) prop-2-enoate?
(2-fluoropyrimidin-4-yl) prop-2-enoate has a molecular weight of 168.13 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoropyrimidin-4-yl) prop-2-enoate is sourced from PubChem (CID 170562816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).