1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea

C13H12FN3O — CID 47126026

IUPAC1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
SMILESCc1cc(F)ccc1NC(=O)Nc1cccnc1
InChIInChI=1S/C13H12FN3O/c1-9-7-10(14)4-5-12(9)17-13(18)16-11-3-2-6-15-8-11/h2-8H,1H3,(H2,16,17,18)
InChIKeyPDGTVTZWPODCNI-UHFFFAOYSA-N
MW245.26 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea

1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea (PubChem CID 47126026) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
PubChem CID47126026
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
SMILESCc1cc(F)ccc1NC(=O)Nc1cccnc1
InChIInChI=1S/C13H12FN3O/c1-9-7-10(14)4-5-12(9)17-13(18)16-11-3-2-6-15-8-11/h2-8H,1H3,(H2,16,17,18)
InChIKeyPDGTVTZWPODCNI-UHFFFAOYSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126030
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
CID 3994543
1-(4-fluoro-2-methylphenyl)-3-iodourea
CID 135276363
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
2,2-difluoro-N-pyridin-3-ylacetamide
CID 103600571
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea (CID 47126026) is 1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea is Cc1cc(F)ccc1NC(=O)Nc1cccnc1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea?
The InChIKey is PDGTVTZWPODCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-9-7-10(14)4-5-12(9)17-13(18)16-11-3-2-6-15-8-11/h2-8H,1H3,(H2,16,17,18).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea?
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea has a molecular weight of 245.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 47126026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).