2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine

C10H7ClN4O3 — CID 114044250

IUPAC2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine
SMILESCc1ccc(Oc2nc(Cl)ncc2[N+](=O)[O-])cn1
InChIInChI=1S/C10H7ClN4O3/c1-6-2-3-7(4-12-6)18-9-8(15(16)17)5-13-10(11)14-9/h2-5H,1H3
InChIKeyMGTPIMGZXHXNAG-UHFFFAOYSA-N
MW266.64 g/mol
LogP2.53
Rot. Bonds3

About 2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine

2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine (PubChem CID 114044250) has the molecular formula C10H7ClN4O3 and a molecular weight of 266.64 g/mol. Its IUPAC name is 2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine
PubChem CID114044250
Molecular FormulaC10H7ClN4O3
Molecular Weight266.64 g/mol
Exact Mass266.02
IUPAC Name2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine
SMILESCc1ccc(Oc2nc(Cl)ncc2[N+](=O)[O-])cn1
InChIInChI=1S/C10H7ClN4O3/c1-6-2-3-7(4-12-6)18-9-8(15(16)17)5-13-10(11)14-9/h2-5H,1H3
InChIKeyMGTPIMGZXHXNAG-UHFFFAOYSA-N
XLogP2.53
TPSA91.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-chloro-4-methoxy-5-nitropyrimidine
CID 3801616
2-chloro-4-(3-ethylphenoxy)-5-nitropyrimidine
CID 114044199
[3-(2-chloro-5-nitropyrimidin-4-yl)oxyphenyl]methanol
CID 114044249
2-methyl-5-(2-methyl-3-nitrophenoxy)pyridine
CID 69456314
[4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine
CID 114045144
2-(4-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131555
2,4-bis(4-methoxyphenoxy)-5-nitropyrimidine
CID 58243049
5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine
CID 162431890
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine
CID 113497815
2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
CID 107499651
5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
CID 79075513

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine?
The IUPAC name of 2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine (CID 114044250) is 2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine.
What is the SMILES notation for 2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine?
The canonical SMILES for 2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine is Cc1ccc(Oc2nc(Cl)ncc2[N+](=O)[O-])cn1.
What is the InChIKey of 2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine?
The InChIKey is MGTPIMGZXHXNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3/c1-6-2-3-7(4-12-6)18-9-8(15(16)17)5-13-10(11)14-9/h2-5H,1H3.
What are the key properties of 2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine?
2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine has a molecular weight of 266.64 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine is sourced from PubChem (CID 114044250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).