1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea

C12H10ClFN4O — CID 901021

IUPAC1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea
SMILESO=C(NNc1cccc(Cl)n1)Nc1ccccc1F
InChIInChI=1S/C12H10ClFN4O/c13-10-6-3-7-11(16-10)17-18-12(19)15-9-5-2-1-4-8(9)14/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyCHRORWUSUCGNSV-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.02
Rot. Bonds3

About 1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea

1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea (PubChem CID 901021) has the molecular formula C12H10ClFN4O and a molecular weight of 280.69 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea
PubChem CID901021
Molecular FormulaC12H10ClFN4O
Molecular Weight280.69 g/mol
Exact Mass280.05
IUPAC Name1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea
SMILESO=C(NNc1cccc(Cl)n1)Nc1ccccc1F
InChIInChI=1S/C12H10ClFN4O/c13-10-6-3-7-11(16-10)17-18-12(19)15-9-5-2-1-4-8(9)14/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyCHRORWUSUCGNSV-UHFFFAOYSA-N
XLogP3.02
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-Chloro-2-pyridinyl)-1-hydrazinecarboxamide
CID 324447
2-(6-chloro-2-pyridinyl)-N-(4-fluorophenyl)hydrazinecarboxamide
CID 901022
2-(6-chloro-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]hydrazinecarboxamide
CID 901027
N-(3-chlorophenyl)-2-(6-chloro-2-pyridinyl)hydrazinecarboxamide
CID 4193262
1-(2,6-Dichloro-4-pyridinyl)-3-[[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]amino]urea
CID 164622072
N'-(6-chloropyridin-2-yl)acetohydrazide
CID 324432
N'-(6-chloropyridin-2-yl)-2,2,2-trifluoroacetohydrazide
CID 1485932
2-(6-chloro-2-pyridinyl)-N-phenylhydrazinecarboxamide
CID 901020
N-(2-chlorophenyl)-2-(6-chloro-2-pyridinyl)hydrazinecarboxamide
CID 901023
N-(4-chlorophenyl)-2-(6-chloro-2-pyridinyl)hydrazinecarboxamide
CID 901024
2-(6-chloro-2-pyridinyl)-N-(4-methylphenyl)hydrazinecarboxamide
CID 901026
1-(6-Chloro-pyridin-2-yl)-[1,2,4]triazinan-3-one
CID 10059051

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea (CID 901021) is 1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea is O=C(NNc1cccc(Cl)n1)Nc1ccccc1F.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea?
The InChIKey is CHRORWUSUCGNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN4O/c13-10-6-3-7-11(16-10)17-18-12(19)15-9-5-2-1-4-8(9)14/h1-7H,(H,16,17)(H2,15,18,19).
What are the key properties of 1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea?
1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea has a molecular weight of 280.69 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)amino]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 901021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).