1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea

C13H10Cl3N3O2 — CID 108880972

IUPAC1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea
SMILESO=C(NCOc1ccc(Cl)cc1Cl)Nc1cccnc1Cl
InChIInChI=1S/C13H10Cl3N3O2/c14-8-3-4-11(9(15)6-8)21-7-18-13(20)19-10-2-1-5-17-12(10)16/h1-6H,7H2,(H2,18,19,20)
InChIKeyZZMOTVDSUPPNID-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.20
Rot. Bonds4

About 1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea

1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea (PubChem CID 108880972) has the molecular formula C13H10Cl3N3O2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea
PubChem CID108880972
Molecular FormulaC13H10Cl3N3O2
Molecular Weight346.60 g/mol
Exact Mass344.98
IUPAC Name1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea
SMILESO=C(NCOc1ccc(Cl)cc1Cl)Nc1cccnc1Cl
InChIInChI=1S/C13H10Cl3N3O2/c14-8-3-4-11(9(15)6-8)21-7-18-13(20)19-10-2-1-5-17-12(10)16/h1-6H,7H2,(H2,18,19,20)
InChIKeyZZMOTVDSUPPNID-UHFFFAOYSA-N
XLogP4.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxyphenyl)urea
CID 108880931
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea
CID 108880828
1-[(4-chlorophenyl)methyl]-3-(2-chloro-3-pyridinyl)urea
CID 47400753
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
3-[(2,4-dichlorophenoxy)methylcarbamoylamino]benzoic acid
CID 108880826
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea
CID 108880965
2-(2,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 2180532
1-tert-butyl-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880884

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea (CID 108880972) is 1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea is O=C(NCOc1ccc(Cl)cc1Cl)Nc1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea?
The InChIKey is ZZMOTVDSUPPNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O2/c14-8-3-4-11(9(15)6-8)21-7-18-13(20)19-10-2-1-5-17-12(10)16/h1-6H,7H2,(H2,18,19,20).
What are the key properties of 1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea?
1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea has a molecular weight of 346.60 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea is sourced from PubChem (CID 108880972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).