1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea

C12H10ClFN4O — CID 901022

IUPAC1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea
SMILESO=C(NNc1cccc(Cl)n1)Nc1ccc(F)cc1
InChIInChI=1S/C12H10ClFN4O/c13-10-2-1-3-11(16-10)17-18-12(19)15-9-6-4-8(14)5-7-9/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyLAXUMKMYFLSZDQ-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.02
Rot. Bonds3

About 1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea

1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea (PubChem CID 901022) 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-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea
PubChem CID901022
Molecular FormulaC12H10ClFN4O
Molecular Weight280.69 g/mol
Exact Mass280.05
IUPAC Name1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea
SMILESO=C(NNc1cccc(Cl)n1)Nc1ccc(F)cc1
InChIInChI=1S/C12H10ClFN4O/c13-10-2-1-3-11(16-10)17-18-12(19)15-9-6-4-8(14)5-7-9/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyLAXUMKMYFLSZDQ-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

1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea
CID 4193262
6-chloro-N-(4-fluorophenyl)pyridin-2-amine;2,6-dichloropyridine
CID 160664212
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
1-[(6-chloro-2-pyridinyl)amino]-3-methylurea
CID 901019
methyl N-[(4-fluorophenyl)carbamoylamino]carbamate
CID 24535891
1-[[4,6-bis[(4-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]-3-(4-chlorophenyl)urea
CID 178078599
1-(2-bromoanilino)-3-(4-fluorophenyl)urea
CID 17482426
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
6-chloro-N-fluoropyridin-2-amine
CID 171556919
2-chloro-N-(4-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 55052514
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
1-(4-fluorophenyl)-3-[6-[(4-fluorophenyl)carbamothioylamino]-2-pyridinyl]thiourea
CID 2731256

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea (CID 901022) is 1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea is O=C(NNc1cccc(Cl)n1)Nc1ccc(F)cc1.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea?
The InChIKey is LAXUMKMYFLSZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN4O/c13-10-2-1-3-11(16-10)17-18-12(19)15-9-6-4-8(14)5-7-9/h1-7H,(H,16,17)(H2,15,18,19).
What are the key properties of 1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea?
1-[(6-chloro-2-pyridinyl)amino]-3-(4-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-(4-fluorophenyl)urea is sourced from PubChem (CID 901022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).