4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine

C10H6ClFN4O2 — CID 114044646

IUPAC4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine
SMILESNc1ncc([N+](=O)[O-])c(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C10H6ClFN4O2/c11-7-2-1-5(12)3-6(7)9-8(16(17)18)4-14-10(13)15-9/h1-4H,(H2,13,14,15)
InChIKeyBWFNQQOXPREDOJ-UHFFFAOYSA-N
MW268.63 g/mol
LogP2.43
Rot. Bonds2

About 4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine

4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine (PubChem CID 114044646) has the molecular formula C10H6ClFN4O2 and a molecular weight of 268.63 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine
PubChem CID114044646
Molecular FormulaC10H6ClFN4O2
Molecular Weight268.63 g/mol
Exact Mass268.02
IUPAC Name4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine
SMILESNc1ncc([N+](=O)[O-])c(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C10H6ClFN4O2/c11-7-2-1-5(12)3-6(7)9-8(16(17)18)4-14-10(13)15-9/h1-4H,(H2,13,14,15)
InChIKeyBWFNQQOXPREDOJ-UHFFFAOYSA-N
XLogP2.43
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.63
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-fluorophenyl)-5-nitropyrimidin-2-amine
CID 114044546
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
1,2,3,4,5-pentachloro-6-(5-fluoro-2-nitrophenyl)benzene
CID 134630100
4-(2-chloro-5-fluorophenyl)-2-nitrobenzaldehyde
CID 176730068
2-chloro-4-(2-chloro-5-fluorophenyl)-5-fluoropyrimidine
CID 105396029
4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine
CID 107501814
5-(2,3-dichloro-4-nitrophenyl)pyrimidine-2,4-diamine
CID 19885678
3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole
CID 112572090
2-(2,5-dichlorophenyl)-5-methyl-3-nitropyridine
CID 118819253
6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 105396086
2-N-(2,4-difluorophenyl)-5-nitropyrimidine-2,4-diamine
CID 56724461
2-(3,4-dichlorophenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 133324022

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine (CID 114044646) is 4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine is Nc1ncc([N+](=O)[O-])c(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine?
The InChIKey is BWFNQQOXPREDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN4O2/c11-7-2-1-5(12)3-6(7)9-8(16(17)18)4-14-10(13)15-9/h1-4H,(H2,13,14,15).
What are the key properties of 4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine?
4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine has a molecular weight of 268.63 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 114044646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).