[1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol

C15H13ClN2O — CID 102912293

IUPAC[1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol
SMILESOCc1cccc2ccn(Cc3ccncc3Cl)c12
InChIInChI=1S/C15H13ClN2O/c16-14-8-17-6-4-12(14)9-18-7-5-11-2-1-3-13(10-19)15(11)18/h1-8,19H,9-10H2
InChIKeyUFBWAAOTPYXLRY-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.23
Rot. Bonds3

About [1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol

[1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol (PubChem CID 102912293) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is [1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol
PubChem CID102912293
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name[1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol
SMILESOCc1cccc2ccn(Cc3ccncc3Cl)c12
InChIInChI=1S/C15H13ClN2O/c16-14-8-17-6-4-12(14)9-18-7-5-11-2-1-3-13(10-19)15(11)18/h1-8,19H,9-10H2
InChIKeyUFBWAAOTPYXLRY-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole
CID 116618712
[1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol
CID 102912875
[1-(pyridin-2-ylmethyl)indol-7-yl]methanol
CID 102911903
2-[7-(hydroxymethyl)indol-1-yl]ethanol
CID 102912014
[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol
CID 102912135
(1-prop-2-ynylindol-7-yl)methanol
CID 102912084
[1-(1,3-benzothiazol-2-ylmethyl)indol-7-yl]methanol
CID 102912323
2-[1-[(3-chloro-4-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917723
4-fluoro-2-[[7-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 107906616
[1-(2-methylsulfanylethyl)indol-7-yl]methanol
CID 102912009
1-[(3-chloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82897352
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol?
The IUPAC name of [1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol (CID 102912293) is [1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol.
What is the SMILES notation for [1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol?
The canonical SMILES for [1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol is OCc1cccc2ccn(Cc3ccncc3Cl)c12.
What is the InChIKey of [1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol?
The InChIKey is UFBWAAOTPYXLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-14-8-17-6-4-12(14)9-18-7-5-11-2-1-3-13(10-19)15(11)18/h1-8,19H,9-10H2.
What are the key properties of [1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol?
[1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol has a molecular weight of 272.74 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol is sourced from PubChem (CID 102912293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).