(1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol

C10H13N3O — CID 96855329

IUPAC(1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol
SMILESCn1cc([C@H](O)CN)c2cccnc21
InChIInChI=1S/C10H13N3O/c1-13-6-8(9(14)5-11)7-3-2-4-12-10(7)13/h2-4,6,9,14H,5,11H2,1H3/t9-/m1/s1
InChIKeyCLYYURQGXHABHZ-SECBINFHSA-N
MW191.23 g/mol
LogP0.57
Rot. Bonds2

About (1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol

(1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol (PubChem CID 96855329) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol
PubChem CID96855329
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol
SMILESCn1cc([C@H](O)CN)c2cccnc21
InChIInChI=1S/C10H13N3O/c1-13-6-8(9(14)5-11)7-3-2-4-12-10(7)13/h2-4,6,9,14H,5,11H2,1H3/t9-/m1/s1
InChIKeyCLYYURQGXHABHZ-SECBINFHSA-N
XLogP0.57
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol
CID 82656231
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
(1R)-2-amino-1-(2-methyl-3-pyridinyl)ethanol
CID 96635768
3-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 153487723
N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine
CID 82653823
N,N,1-trimethylpyrrolo[2,3-b]pyridin-3-amine
CID 174356978
2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 175615250
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)phenol
CID 84689140
1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine
CID 82385444
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine
CID 175332075
1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine
CID 155805321

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol?
The IUPAC name of (1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol (CID 96855329) is (1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol is Cn1cc([C@H](O)CN)c2cccnc21.
What is the InChIKey of (1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol?
The InChIKey is CLYYURQGXHABHZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13-6-8(9(14)5-11)7-3-2-4-12-10(7)13/h2-4,6,9,14H,5,11H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol?
(1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol has a molecular weight of 191.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol is sourced from PubChem (CID 96855329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).