1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea

C11H9ClN4O — CID 108894678

IUPAC1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1cc(Cl)ccn1
InChIInChI=1S/C11H9ClN4O/c12-8-4-6-14-10(7-8)16-11(17)15-9-3-1-2-5-13-9/h1-7H,(H2,13,14,15,16,17)
InChIKeyNXNPTOALEDMDIG-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.77
Rot. Bonds2

About 1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea

1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea (PubChem CID 108894678) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
PubChem CID108894678
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1cc(Cl)ccn1
InChIInChI=1S/C11H9ClN4O/c12-8-4-6-14-10(7-8)16-11(17)15-9-3-1-2-5-13-9/h1-7H,(H2,13,14,15,16,17)
InChIKeyNXNPTOALEDMDIG-UHFFFAOYSA-N
XLogP2.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
1-(4-tert-butylphenyl)-3-(4-chloro-2-pyridinyl)urea
CID 108884932
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
1-(4-chloro-2-methoxyphenyl)-3-pyridin-2-ylurea
CID 51062921
1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea
CID 108866515
1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea
CID 108897788
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
CID 108902776
N-(4-chloro-2-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104820977
1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
CID 47240493
1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
CID 108897307

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea (CID 108894678) is 1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea is O=C(Nc1ccccn1)Nc1cc(Cl)ccn1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea?
The InChIKey is NXNPTOALEDMDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-8-4-6-14-10(7-8)16-11(17)15-9-3-1-2-5-13-9/h1-7H,(H2,13,14,15,16,17).
What are the key properties of 1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea?
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea has a molecular weight of 248.67 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 108894678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).