1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea

C11H13ClFN3O — CID 146092154

IUPAC1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea
SMILESCC1(F)CC(NC(=O)Nc2ccc(Cl)nc2)C1
InChIInChI=1S/C11H13ClFN3O/c1-11(13)4-8(5-11)16-10(17)15-7-2-3-9(12)14-6-7/h2-3,6,8H,4-5H2,1H3,(H2,15,16,17)
InChIKeyKMFZVFDDHCSQCC-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.75
Rot. Bonds2

About 1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea

1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea (PubChem CID 146092154) has the molecular formula C11H13ClFN3O and a molecular weight of 257.70 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea
PubChem CID146092154
Molecular FormulaC11H13ClFN3O
Molecular Weight257.70 g/mol
Exact Mass257.07
IUPAC Name1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea
SMILESCC1(F)CC(NC(=O)Nc2ccc(Cl)nc2)C1
InChIInChI=1S/C11H13ClFN3O/c1-11(13)4-8(5-11)16-10(17)15-7-2-3-9(12)14-6-7/h2-3,6,8H,4-5H2,1H3,(H2,15,16,17)
InChIKeyKMFZVFDDHCSQCC-UHFFFAOYSA-N
XLogP2.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187
1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea
CID 7304408
cis-(1S,3R)-3-[(6-chloro-3-pyridinyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95389956
N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide
CID 155221409
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 146075621
1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea
CID 113018351
trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 146083394
2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340629
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea (CID 146092154) is 1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea is CC1(F)CC(NC(=O)Nc2ccc(Cl)nc2)C1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea?
The InChIKey is KMFZVFDDHCSQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O/c1-11(13)4-8(5-11)16-10(17)15-7-2-3-9(12)14-6-7/h2-3,6,8H,4-5H2,1H3,(H2,15,16,17).
What are the key properties of 1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea?
1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea has a molecular weight of 257.70 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-3-(3-fluoro-3-methylcyclobutyl)urea is sourced from PubChem (CID 146092154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).