[3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol

C15H15ClN2O3 — CID 75446207

IUPAC[3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol
SMILESOCc1nc(NCc2ccc3c(c2)OCCO3)ccc1Cl
InChIInChI=1S/C15H15ClN2O3/c16-11-2-4-15(18-12(11)9-19)17-8-10-1-3-13-14(7-10)21-6-5-20-13/h1-4,7,19H,5-6,8-9H2,(H,17,18)
InChIKeyQRGBYCNXWIECHE-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.61
Rot. Bonds4

About [3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol

[3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol (PubChem CID 75446207) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is [3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol
PubChem CID75446207
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name[3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol
SMILESOCc1nc(NCc2ccc3c(c2)OCCO3)ccc1Cl
InChIInChI=1S/C15H15ClN2O3/c16-11-2-4-15(18-12(11)9-19)17-8-10-1-3-13-14(7-10)21-6-5-20-13/h1-4,7,19H,5-6,8-9H2,(H,17,18)
InChIKeyQRGBYCNXWIECHE-UHFFFAOYSA-N
XLogP2.61
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 47156644
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-dimethylpyrrol-1-amine
CID 79090148
1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dichlorophenyl)methyl]thiourea
CID 3851472
1-[(3,4-dichlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea
CID 3604933
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine
CID 17057745
N-[(3-chloro-4-methylphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 106816117
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-methylbutan-1-ol
CID 64549119
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51300910
2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine
CID 62906634

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol (CID 75446207) is [3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol is OCc1nc(NCc2ccc3c(c2)OCCO3)ccc1Cl.
What is the InChIKey of [3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol?
The InChIKey is QRGBYCNXWIECHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-11-2-4-15(18-12(11)9-19)17-8-10-1-3-13-14(7-10)21-6-5-20-13/h1-4,7,19H,5-6,8-9H2,(H,17,18).
What are the key properties of [3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol?
[3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol has a molecular weight of 306.75 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-pyridinyl]methanol is sourced from PubChem (CID 75446207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).