1-(2-chlorophenyl)-1-pyridin-2-ylurea

C12H10ClN3O — CID 141493026

IUPAC1-(2-chlorophenyl)-1-pyridin-2-ylurea
SMILESNC(=O)N(c1ccccn1)c1ccccc1Cl
InChIInChI=1S/C12H10ClN3O/c13-9-5-1-2-6-10(9)16(12(14)17)11-7-3-4-8-15-11/h1-8H,(H2,14,17)
InChIKeyMDHGDXPWZKESQT-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.95
Rot. Bonds2

About 1-(2-chlorophenyl)-1-pyridin-2-ylurea

1-(2-chlorophenyl)-1-pyridin-2-ylurea (PubChem CID 141493026) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-pyridin-2-ylurea
PubChem CID141493026
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name1-(2-chlorophenyl)-1-pyridin-2-ylurea
SMILESNC(=O)N(c1ccccn1)c1ccccc1Cl
InChIInChI=1S/C12H10ClN3O/c13-9-5-1-2-6-10(9)16(12(14)17)11-7-3-4-8-15-11/h1-8H,(H2,14,17)
InChIKeyMDHGDXPWZKESQT-UHFFFAOYSA-N
XLogP2.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-pyridin-2-ylurea?
The IUPAC name of 1-(2-chlorophenyl)-1-pyridin-2-ylurea (CID 141493026) is 1-(2-chlorophenyl)-1-pyridin-2-ylurea.
What is the SMILES notation for 1-(2-chlorophenyl)-1-pyridin-2-ylurea?
The canonical SMILES for 1-(2-chlorophenyl)-1-pyridin-2-ylurea is NC(=O)N(c1ccccn1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-pyridin-2-ylurea?
The InChIKey is MDHGDXPWZKESQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-9-5-1-2-6-10(9)16(12(14)17)11-7-3-4-8-15-11/h1-8H,(H2,14,17).
What are the key properties of 1-(2-chlorophenyl)-1-pyridin-2-ylurea?
1-(2-chlorophenyl)-1-pyridin-2-ylurea has a molecular weight of 247.69 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-pyridin-2-ylurea is sourced from PubChem (CID 141493026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).