(7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol

C13H10ClNO3 — CID 63894459

IUPAC(7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C13H10ClNO3/c14-10-4-9(5-11-13(10)18-7-17-11)12(16)8-2-1-3-15-6-8/h1-6,12,16H,7H2
InChIKeyNPLGCOGNKZIHLY-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.55
Rot. Bonds2

About (7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol

(7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol (PubChem CID 63894459) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is (7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol
PubChem CID63894459
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name(7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C13H10ClNO3/c14-10-4-9(5-11-13(10)18-7-17-11)12(16)8-2-1-3-15-6-8/h1-6,12,16H,7H2
InChIKeyNPLGCOGNKZIHLY-UHFFFAOYSA-N
XLogP2.55
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol
CID 114723371
(7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 114634492
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(6-methyl-3-pyridinyl)methanol
CID 63893331
1-(7-chloro-1,3-benzodioxol-5-yl)propan-1-ol
CID 63895238
4-chloro-6-propan-2-yl-1,3-benzodioxole
CID 58332059
1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol
CID 61082396
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(pyridin-3-ylmethylamino)ethanol
CID 111440476
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol
CID 63894855
(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82771409
(2S)-2-amino-2-(7-chloro-1,3-benzodioxol-5-yl)ethanol
CID 93471728
1-(7-chloro-1,3-benzodioxol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63895802

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol?
The IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol (CID 63894459) is (7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol is OC(c1cccnc1)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of (7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol?
The InChIKey is NPLGCOGNKZIHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-10-4-9(5-11-13(10)18-7-17-11)12(16)8-2-1-3-15-6-8/h1-6,12,16H,7H2.
What are the key properties of (7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol?
(7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol has a molecular weight of 263.68 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 63894459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).