1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea

C14H14FN3O2 — CID 65482274

IUPAC1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1ccc(NC(=O)Nc2ccc(F)cn2)cc1
InChIInChI=1S/C14H14FN3O2/c1-9(19)10-2-5-12(6-3-10)17-14(20)18-13-7-4-11(15)8-16-13/h2-9,19H,1H3,(H2,16,17,18,20)
InChIKeyMEWJTTHQCXXJNM-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.92
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea

1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea (PubChem CID 65482274) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
PubChem CID65482274
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1ccc(NC(=O)Nc2ccc(F)cn2)cc1
InChIInChI=1S/C14H14FN3O2/c1-9(19)10-2-5-12(6-3-10)17-14(20)18-13-7-4-11(15)8-16-13/h2-9,19H,1H3,(H2,16,17,18,20)
InChIKeyMEWJTTHQCXXJNM-UHFFFAOYSA-N
XLogP2.92
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 61346275
1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 61340878
1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99599475
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033078
3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride
CID 120502701
1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 103094731
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
5-fluoro-N-[4-(1-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 104786162

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea (CID 65482274) is 1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea is CC(O)c1ccc(NC(=O)Nc2ccc(F)cn2)cc1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The InChIKey is MEWJTTHQCXXJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9(19)10-2-5-12(6-3-10)17-14(20)18-13-7-4-11(15)8-16-13/h2-9,19H,1H3,(H2,16,17,18,20).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea has a molecular weight of 275.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 65482274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).