2-(2-iodo-6-methyl-3-pyridinyl)phenol

C12H10INO — CID 174588541

IUPAC2-(2-iodo-6-methyl-3-pyridinyl)phenol
SMILESCc1ccc(-c2ccccc2O)c(I)n1
InChIInChI=1S/C12H10INO/c1-8-6-7-10(12(13)14-8)9-4-2-3-5-11(9)15/h2-7,15H,1H3
InChIKeyHMSMQIGKCXGBPO-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.37
Rot. Bonds1

About 2-(2-iodo-6-methyl-3-pyridinyl)phenol

2-(2-iodo-6-methyl-3-pyridinyl)phenol (PubChem CID 174588541) has the molecular formula C12H10INO and a molecular weight of 311.12 g/mol. Its IUPAC name is 2-(2-iodo-6-methyl-3-pyridinyl)phenol.

Molecular Properties

Compound Name2-(2-iodo-6-methyl-3-pyridinyl)phenol
PubChem CID174588541
Molecular FormulaC12H10INO
Molecular Weight311.12 g/mol
Exact Mass310.98
IUPAC Name2-(2-iodo-6-methyl-3-pyridinyl)phenol
SMILESCc1ccc(-c2ccccc2O)c(I)n1
InChIInChI=1S/C12H10INO/c1-8-6-7-10(12(13)14-8)9-4-2-3-5-11(9)15/h2-7,15H,1H3
InChIKeyHMSMQIGKCXGBPO-UHFFFAOYSA-N
XLogP3.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

NoName_714
CID 135489221
2-[2-(2-Quinolinyl)ethenyl]phenol
CID 2864430
Quininib
CID 135411330
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
4-(Pyridin-2-ylmethyl)phenol
CID 603599
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
2-Fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol
CID 134158354
4-(4,6-Diphenyl-2-pyridinyl)phenol
CID 135838975
2-[(Z)-2-quinolin-2-ylethenyl]phenol
CID 136045796
4-[6-(4-Hydroxyphenyl)pyridin-2-yl]phenol
CID 647743
2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol
CID 135616214
2-(3-Hydroxymethyl-2,6-diisopropyl-5-pentyl-pyridin-4-yl)-phenol
CID 135819135

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-6-methyl-3-pyridinyl)phenol?
The IUPAC name of 2-(2-iodo-6-methyl-3-pyridinyl)phenol (CID 174588541) is 2-(2-iodo-6-methyl-3-pyridinyl)phenol.
What is the SMILES notation for 2-(2-iodo-6-methyl-3-pyridinyl)phenol?
The canonical SMILES for 2-(2-iodo-6-methyl-3-pyridinyl)phenol is Cc1ccc(-c2ccccc2O)c(I)n1.
What is the InChIKey of 2-(2-iodo-6-methyl-3-pyridinyl)phenol?
The InChIKey is HMSMQIGKCXGBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO/c1-8-6-7-10(12(13)14-8)9-4-2-3-5-11(9)15/h2-7,15H,1H3.
What are the key properties of 2-(2-iodo-6-methyl-3-pyridinyl)phenol?
2-(2-iodo-6-methyl-3-pyridinyl)phenol has a molecular weight of 311.12 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-6-methyl-3-pyridinyl)phenol is sourced from PubChem (CID 174588541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).