1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol

C14H13ClINO — CID 103222612

IUPAC1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol
SMILESCC(c1ccncc1)C(O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H13ClINO/c1-9(10-4-6-17-7-5-10)14(18)11-2-3-13(16)12(15)8-11/h2-9,14,18H,1H3
InChIKeyBNSLEQNDBKQQFR-UHFFFAOYSA-N
MW373.62 g/mol
LogP4.18
Rot. Bonds3

About 1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol

1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol (PubChem CID 103222612) has the molecular formula C14H13ClINO and a molecular weight of 373.62 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol
PubChem CID103222612
Molecular FormulaC14H13ClINO
Molecular Weight373.62 g/mol
Exact Mass372.97
IUPAC Name1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol
SMILESCC(c1ccncc1)C(O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H13ClINO/c1-9(10-4-6-17-7-5-10)14(18)11-2-3-13(16)12(15)8-11/h2-9,14,18H,1H3
InChIKeyBNSLEQNDBKQQFR-UHFFFAOYSA-N
XLogP4.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.62
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
CID 66461480
4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine
CID 114029831
1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 81262481
(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
CID 103216864
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene
CID 103210747
4-[1-bromo-1-(3-chloro-4-fluorophenyl)propan-2-yl]pyridine
CID 82879487
(3-chloro-4-iodophenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 112744845
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
(3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol
CID 103216660
4-methyl-2-pyridin-4-ylhexan-3-ol
CID 66461088
(3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine
CID 103215982

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol (CID 103222612) is 1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol is CC(c1ccncc1)C(O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol?
The InChIKey is BNSLEQNDBKQQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClINO/c1-9(10-4-6-17-7-5-10)14(18)11-2-3-13(16)12(15)8-11/h2-9,14,18H,1H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol?
1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol has a molecular weight of 373.62 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 103222612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).