1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea

C12H10BrFN4O2 — CID 155390784

IUPAC1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea
SMILESO=C(Nc1ccnc(Br)c1)Nc1cc(F)ncc1CO
InChIInChI=1S/C12H10BrFN4O2/c13-10-3-8(1-2-15-10)17-12(20)18-9-4-11(14)16-5-7(9)6-19/h1-5,19H,6H2,(H2,15,16,17,18,20)
InChIKeyUTUUCWUQRIWRSD-UHFFFAOYSA-N
MW341.14 g/mol
LogP2.51
Rot. Bonds3

About 1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea

1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea (PubChem CID 155390784) has the molecular formula C12H10BrFN4O2 and a molecular weight of 341.14 g/mol. Its IUPAC name is 1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea
PubChem CID155390784
Molecular FormulaC12H10BrFN4O2
Molecular Weight341.14 g/mol
Exact Mass340.00
IUPAC Name1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea
SMILESO=C(Nc1ccnc(Br)c1)Nc1cc(F)ncc1CO
InChIInChI=1S/C12H10BrFN4O2/c13-10-3-8(1-2-15-10)17-12(20)18-9-4-11(14)16-5-7(9)6-19/h1-5,19H,6H2,(H2,15,16,17,18,20)
InChIKeyUTUUCWUQRIWRSD-UHFFFAOYSA-N
XLogP2.51
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[5-bromo-2-(hydroxymethyl)phenyl]-3-(2-fluoro-4-pyridinyl)urea
CID 156854469
N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide
CID 170006947
1-(2-bromo-4-pyridinyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea
CID 156854356
1-(2-bromo-4-pyridinyl)-3-(2-fluoro-3-methylphenyl)urea;methane
CID 167683559
1-[4-deuterio-3-(difluoromethyl)-1,2-thiazol-5-yl]-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea
CID 158418959
1-(2-bromo-4-pyridinyl)-3-ethylurea
CID 130673791
N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
CID 130752361
1-(2-bromo-4-pyridinyl)-3-cyclobutylurea
CID 130682535
1-[3-deuterio-2-fluoro-5-(hydroxymethyl)-4-pyridinyl]-3-[3-(difluoromethyl)-1,2-thiazol-5-yl]urea
CID 158418958
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
N-(2-bromo-4-pyridinyl)-2-methoxypropanamide
CID 131128808
2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61294571

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea?
The IUPAC name of 1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea (CID 155390784) is 1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea.
What is the SMILES notation for 1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea?
The canonical SMILES for 1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea is O=C(Nc1ccnc(Br)c1)Nc1cc(F)ncc1CO.
What is the InChIKey of 1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea?
The InChIKey is UTUUCWUQRIWRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O2/c13-10-3-8(1-2-15-10)17-12(20)18-9-4-11(14)16-5-7(9)6-19/h1-5,19H,6H2,(H2,15,16,17,18,20).
What are the key properties of 1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea?
1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea has a molecular weight of 341.14 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-pyridinyl)-3-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]urea is sourced from PubChem (CID 155390784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).