[2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol

C14H14F2N2O — CID 105383033

IUPAC[2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
SMILESCCN(c1ccccc1F)c1nccc(CO)c1F
InChIInChI=1S/C14H14F2N2O/c1-2-18(12-6-4-3-5-11(12)15)14-13(16)10(9-19)7-8-17-14/h3-8,19H,2,9H2,1H3
InChIKeyKQZSCTOTLHTYAG-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.01
Rot. Bonds4

About [2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol

[2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol (PubChem CID 105383033) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is [2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
PubChem CID105383033
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name[2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
SMILESCCN(c1ccccc1F)c1nccc(CO)c1F
InChIInChI=1S/C14H14F2N2O/c1-2-18(12-6-4-3-5-11(12)15)14-13(16)10(9-19)7-8-17-14/h3-8,19H,2,9H2,1H3
InChIKeyKQZSCTOTLHTYAG-UHFFFAOYSA-N
XLogP3.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol?
The IUPAC name of [2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol (CID 105383033) is [2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol.
What is the SMILES notation for [2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol?
The canonical SMILES for [2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol is CCN(c1ccccc1F)c1nccc(CO)c1F.
What is the InChIKey of [2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol?
The InChIKey is KQZSCTOTLHTYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-2-18(12-6-4-3-5-11(12)15)14-13(16)10(9-19)7-8-17-14/h3-8,19H,2,9H2,1H3.
What are the key properties of [2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol?
[2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol has a molecular weight of 264.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol is sourced from PubChem (CID 105383033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).