3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline

C10H7ClFN3O — CID 118067174

IUPAC3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline
SMILESNc1cccc(Oc2nc(Cl)ncc2F)c1
InChIInChI=1S/C10H7ClFN3O/c11-10-14-5-8(12)9(15-10)16-7-3-1-2-6(13)4-7/h1-5H,13H2
InChIKeyTXNORRSCZDPTNE-UHFFFAOYSA-N
MW239.64 g/mol
LogP2.64
Rot. Bonds2

About 3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline

3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline (PubChem CID 118067174) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline
PubChem CID118067174
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline
SMILESNc1cccc(Oc2nc(Cl)ncc2F)c1
InChIInChI=1S/C10H7ClFN3O/c11-10-14-5-8(12)9(15-10)16-7-3-1-2-6(13)4-7/h1-5H,13H2
InChIKeyTXNORRSCZDPTNE-UHFFFAOYSA-N
XLogP2.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine
CID 79081904
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727242
2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine
CID 118311907
2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine
CID 79081506
3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline
CID 95928611
2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
CID 79081907
3-[(5-chloro-2-pyridinyl)oxy]aniline
CID 43364009
4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80864784
5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine
CID 679767
6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 79081517
(5E)-5-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylidene]-3-(2,5-dimethylpyrrol-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126199393
(5E)-5-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126277475

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline?
The IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline (CID 118067174) is 3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline?
The canonical SMILES for 3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline is Nc1cccc(Oc2nc(Cl)ncc2F)c1.
What is the InChIKey of 3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline?
The InChIKey is TXNORRSCZDPTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c11-10-14-5-8(12)9(15-10)16-7-3-1-2-6(13)4-7/h1-5H,13H2.
What are the key properties of 3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline?
3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline has a molecular weight of 239.64 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 118067174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).