(3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol

C11H10ClIN2O — CID 103216660

IUPAC(3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(I)c(Cl)c2)cn1
InChIInChI=1S/C11H10ClIN2O/c1-15-6-8(5-14-15)11(16)7-2-3-10(13)9(12)4-7/h2-6,11,16H,1H3
InChIKeyFEIWSAHFHBJCLF-UHFFFAOYSA-N
MW348.57 g/mol
LogP2.76
Rot. Bonds2

About (3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol

(3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 103216660) has the molecular formula C11H10ClIN2O and a molecular weight of 348.57 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol
PubChem CID103216660
Molecular FormulaC11H10ClIN2O
Molecular Weight348.57 g/mol
Exact Mass347.95
IUPAC Name(3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(I)c(Cl)c2)cn1
InChIInChI=1S/C11H10ClIN2O/c1-15-6-8(5-14-15)11(16)7-2-3-10(13)9(12)4-7/h2-6,11,16H,1H3
InChIKeyFEIWSAHFHBJCLF-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.57
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 63895357
(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
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(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
CID 103217178
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-methylpyrazol-4-yl)methanol
CID 63894860
3-[hydroxy-(1-methylpyrazol-4-yl)methyl]benzonitrile
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(3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol
CID 79780527
[6-(dimethylamino)-3-pyridinyl]-(1-methylpyrazol-4-yl)methanol
CID 114273085
5-[(3-chloro-4-iodophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 103210148
(3-chloro-4-iodophenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 112744845
(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088204
(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 103216999
(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanol
CID 115373634

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol (CID 103216660) is (3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2ccc(I)c(Cl)c2)cn1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is FEIWSAHFHBJCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN2O/c1-15-6-8(5-14-15)11(16)7-2-3-10(13)9(12)4-7/h2-6,11,16H,1H3.
What are the key properties of (3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol?
(3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 348.57 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 103216660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).