4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine

C10H7ClN4O3 — CID 133282270

IUPAC4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine
SMILESCc1nc(Cl)cc(Oc2cccnc2[N+](=O)[O-])n1
InChIInChI=1S/C10H7ClN4O3/c1-6-13-8(11)5-9(14-6)18-7-3-2-4-12-10(7)15(16)17/h2-5H,1H3
InChIKeyALLHWBXSSVMBSN-UHFFFAOYSA-N
MW266.64 g/mol
LogP2.53
Rot. Bonds3

About 4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine

4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine (PubChem CID 133282270) has the molecular formula C10H7ClN4O3 and a molecular weight of 266.64 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine
PubChem CID133282270
Molecular FormulaC10H7ClN4O3
Molecular Weight266.64 g/mol
Exact Mass266.02
IUPAC Name4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine
SMILESCc1nc(Cl)cc(Oc2cccnc2[N+](=O)[O-])n1
InChIInChI=1S/C10H7ClN4O3/c1-6-13-8(11)5-9(14-6)18-7-3-2-4-12-10(7)15(16)17/h2-5H,1H3
InChIKeyALLHWBXSSVMBSN-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

3-methoxy-2-nitropyridine
CID 556063
4-chloro-2-methyl-6-naphthalen-1-yloxypyrimidine
CID 62482714
4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
CID 114416597
(2-nitro-3-pyridinyl) N-methylcarbamate
CID 45116340
2-tert-butyl-4-chloro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
CID 80949430
2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one
CID 172852182
3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine
CID 133424666
6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine
CID 46683882
methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231
2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875828
2-tert-butyl-4-chloro-6-(2-nitrophenoxy)pyrimidine
CID 80943264

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine (CID 133282270) is 4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine is Cc1nc(Cl)cc(Oc2cccnc2[N+](=O)[O-])n1.
What is the InChIKey of 4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine?
The InChIKey is ALLHWBXSSVMBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3/c1-6-13-8(11)5-9(14-6)18-7-3-2-4-12-10(7)15(16)17/h2-5H,1H3.
What are the key properties of 4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine?
4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine 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 4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine is sourced from PubChem (CID 133282270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).