2-iodo-1-(pyridin-4-ylmethyl)indole

C14H11IN2 — CID 145189554

IUPAC2-iodo-1-(pyridin-4-ylmethyl)indole
SMILESIc1cc2ccccc2n1Cc1ccncc1
InChIInChI=1S/C14H11IN2/c15-14-9-12-3-1-2-4-13(12)17(14)10-11-5-7-16-8-6-11/h1-9H,10H2
InChIKeyWAOPNKVJWAXQCS-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.69
Rot. Bonds2

About 2-iodo-1-(pyridin-4-ylmethyl)indole

2-iodo-1-(pyridin-4-ylmethyl)indole (PubChem CID 145189554) has the molecular formula C14H11IN2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2-iodo-1-(pyridin-4-ylmethyl)indole.

Molecular Properties

Compound Name2-iodo-1-(pyridin-4-ylmethyl)indole
PubChem CID145189554
Molecular FormulaC14H11IN2
Molecular Weight334.16 g/mol
Exact Mass334.00
IUPAC Name2-iodo-1-(pyridin-4-ylmethyl)indole
SMILESIc1cc2ccccc2n1Cc1ccncc1
InChIInChI=1S/C14H11IN2/c15-14-9-12-3-1-2-4-13(12)17(14)10-11-5-7-16-8-6-11/h1-9H,10H2
InChIKeyWAOPNKVJWAXQCS-UHFFFAOYSA-N
XLogP3.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-1-(methoxymethyl)indole
CID 76846488
1-(pyridin-4-ylmethyl)benzimidazol-2-amine
CID 43148815
S-pyridin-4-yl 1-benzylindole-2-carbothioate
CID 16681534
1-benzylindol-2-amine
CID 91418343
(1-benzylindol-2-yl)-triethylsilane
CID 90095967
1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 65490558
3-(1-benzylindol-2-yl)propan-1-amine
CID 115107392
1-[(3,4-dichlorophenyl)methyl]-2-methylindole
CID 63812577
2-chloro-1-[(4-ethylphenyl)methyl]indole
CID 90911946
2-ethenyl-1-(pyridin-3-ylmethyl)indole
CID 138503201
9-benzyl-3-(2,6-dipyridin-4-yl-4-pyridinyl)carbazole
CID 138115736
1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-(pyridin-4-ylmethyl)indole?
The IUPAC name of 2-iodo-1-(pyridin-4-ylmethyl)indole (CID 145189554) is 2-iodo-1-(pyridin-4-ylmethyl)indole.
What is the SMILES notation for 2-iodo-1-(pyridin-4-ylmethyl)indole?
The canonical SMILES for 2-iodo-1-(pyridin-4-ylmethyl)indole is Ic1cc2ccccc2n1Cc1ccncc1.
What is the InChIKey of 2-iodo-1-(pyridin-4-ylmethyl)indole?
The InChIKey is WAOPNKVJWAXQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2/c15-14-9-12-3-1-2-4-13(12)17(14)10-11-5-7-16-8-6-11/h1-9H,10H2.
What are the key properties of 2-iodo-1-(pyridin-4-ylmethyl)indole?
2-iodo-1-(pyridin-4-ylmethyl)indole has a molecular weight of 334.16 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-(pyridin-4-ylmethyl)indole is sourced from PubChem (CID 145189554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).