1-(3,5-dichloro-2-pyridinyl)-3-phenylurea

C12H9Cl2N3O — CID 27161092

IUPAC1-(3,5-dichloro-2-pyridinyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-8-6-10(14)11(15-7-8)17-12(18)16-9-4-2-1-3-5-9/h1-7H,(H2,15,16,17,18)
InChIKeyCYVMZCQGSIOZEK-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.03
Rot. Bonds2

About 1-(3,5-dichloro-2-pyridinyl)-3-phenylurea

1-(3,5-dichloro-2-pyridinyl)-3-phenylurea (PubChem CID 27161092) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-3-phenylurea
PubChem CID27161092
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-8-6-10(14)11(15-7-8)17-12(18)16-9-4-2-1-3-5-9/h1-7H,(H2,15,16,17,18)
InChIKeyCYVMZCQGSIOZEK-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

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805358
S-methyl N-(3,5-dichloro-2-pyridinyl)carbamothioate
CID 87838372
2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 4583439
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 41296971
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785754
2,4,6-trichloro-N-phenylbenzamide
CID 68933625
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2373568
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846588
N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide
CID 84560928

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-3-phenylurea?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-3-phenylurea (CID 27161092) is 1-(3,5-dichloro-2-pyridinyl)-3-phenylurea.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-3-phenylurea?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-3-phenylurea?
The InChIKey is CYVMZCQGSIOZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-8-6-10(14)11(15-7-8)17-12(18)16-9-4-2-1-3-5-9/h1-7H,(H2,15,16,17,18).
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-3-phenylurea?
1-(3,5-dichloro-2-pyridinyl)-3-phenylurea 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-(3,5-dichloro-2-pyridinyl)-3-phenylurea is sourced from PubChem (CID 27161092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).