[6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol

C13H11ClN2O4 — CID 80628217

IUPAC[6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Oc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H11ClN2O4/c1-8-4-9(7-17)6-15-13(8)20-12-5-10(16(18)19)2-3-11(12)14/h2-6,17H,7H2,1H3
InChIKeyLYQWOGSAMBBSSV-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.24
Rot. Bonds4

About [6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol

[6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol (PubChem CID 80628217) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is [6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
PubChem CID80628217
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name[6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Oc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H11ClN2O4/c1-8-4-9(7-17)6-15-13(8)20-12-5-10(16(18)19)2-3-11(12)14/h2-6,17H,7H2,1H3
InChIKeyLYQWOGSAMBBSSV-UHFFFAOYSA-N
XLogP3.24
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.24
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

[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 103201814
[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629406
1-[6-(2-chloro-5-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633241
5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
CID 80627929
5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine
CID 66318033
[2-chloro-6-(2-chloro-5-nitrophenoxy)phenyl]methanol
CID 63992960
4-(2-chloro-5-nitrophenoxy)-5-iodopyrimidine
CID 66317806
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
5-(chloromethyl)-2-(2-chloro-5-methylphenoxy)-3-methylpyridine
CID 80628031
1-chloro-4-nitro-2-pent-2-en-3-yloxybenzene
CID 57060162
5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 79733934

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol (CID 80628217) is [6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol is Cc1cc(CO)cnc1Oc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of [6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol?
The InChIKey is LYQWOGSAMBBSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-8-4-9(7-17)6-15-13(8)20-12-5-10(16(18)19)2-3-11(12)14/h2-6,17H,7H2,1H3.
What are the key properties of [6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol?
[6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol has a molecular weight of 294.69 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 80628217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).