1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea

C12H9Cl2N3O — CID 3994543

IUPAC1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-8-3-4-11(10(14)6-8)17-12(18)16-9-2-1-5-15-7-9/h1-7H,(H2,16,17,18)
InChIKeyLYGHHUDFYVNVBU-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.03
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea

1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea (PubChem CID 3994543) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
PubChem CID3994543
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-8-3-4-11(10(14)6-8)17-12(18)16-9-2-1-5-15-7-9/h1-7H,(H2,16,17,18)
InChIKeyLYGHHUDFYVNVBU-UHFFFAOYSA-N
XLogP4.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(pyridin-3-ylcarbamoylamino)benzenesulfonyl chloride;sulfuric acid
CID 45156234
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
CID 51062925
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate
CID 110706425
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026
1-(4-bromo-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126030
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride
CID 71432381
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea (CID 3994543) is 1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea is O=C(Nc1cccnc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea?
The InChIKey is LYGHHUDFYVNVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-8-3-4-11(10(14)6-8)17-12(18)16-9-2-1-5-15-7-9/h1-7H,(H2,16,17,18).
What are the key properties of 1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea?
1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea has a molecular weight of 282.13 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 3994543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).