[6-(1,2-diaminoethyl)-2-pyridinyl]methanol

C8H13N3O — CID 55291801

IUPAC[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
SMILESNCC(N)c1cccc(CO)n1
InChIInChI=1S/C8H13N3O/c9-4-7(10)8-3-1-2-6(5-12)11-8/h1-3,7,12H,4-5,9-10H2
InChIKeyRWEUYAZPAASZRL-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.47
Rot. Bonds3

About [6-(1,2-diaminoethyl)-2-pyridinyl]methanol

[6-(1,2-diaminoethyl)-2-pyridinyl]methanol (PubChem CID 55291801) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is [6-(1,2-diaminoethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
PubChem CID55291801
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
SMILESNCC(N)c1cccc(CO)n1
InChIInChI=1S/C8H13N3O/c9-4-7(10)8-3-1-2-6(5-12)11-8/h1-3,7,12H,4-5,9-10H2
InChIKeyRWEUYAZPAASZRL-UHFFFAOYSA-N
XLogP-0.47
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol
CID 55292733
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile
CID 130649323
[6-[bis(trimethyl-λ4-sulfanyl)methyl]-2-pyridinyl]methanol
CID 89375470
(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol
CID 175632849
3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide
CID 171898958
1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine
CID 170894759
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
(6-propan-2-yl-2-pyridinyl)methanamine
CID 59570017
[6-(difluoromethyl)-2-pyridinyl]methanamine
CID 84650730
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
CID 55265043
(6-ethyl-2-pyridinyl)methanol
CID 10749240

Frequently Asked Questions

What is the IUPAC name of [6-(1,2-diaminoethyl)-2-pyridinyl]methanol?
The IUPAC name of [6-(1,2-diaminoethyl)-2-pyridinyl]methanol (CID 55291801) is [6-(1,2-diaminoethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(1,2-diaminoethyl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(1,2-diaminoethyl)-2-pyridinyl]methanol is NCC(N)c1cccc(CO)n1.
What is the InChIKey of [6-(1,2-diaminoethyl)-2-pyridinyl]methanol?
The InChIKey is RWEUYAZPAASZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-4-7(10)8-3-1-2-6(5-12)11-8/h1-3,7,12H,4-5,9-10H2.
What are the key properties of [6-(1,2-diaminoethyl)-2-pyridinyl]methanol?
[6-(1,2-diaminoethyl)-2-pyridinyl]methanol has a molecular weight of 167.21 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,2-diaminoethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 55291801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).