3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol

C10H13ClN2O2 — CID 171862190

IUPAC3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol
SMILESOC(CCl)C(O)c1cnc2c(c1)CCN2
InChIInChI=1S/C10H13ClN2O2/c11-4-8(14)9(15)7-3-6-1-2-12-10(6)13-5-7/h3,5,8-9,14-15H,1-2,4H2,(H,12,13)
InChIKeyPQKFYJRKAZVXHA-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.68
Rot. Bonds3

About 3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol

3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol (PubChem CID 171862190) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol
PubChem CID171862190
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol
SMILESOC(CCl)C(O)c1cnc2c(c1)CCN2
InChIInChI=1S/C10H13ClN2O2/c11-4-8(14)9(15)7-3-6-1-2-12-10(6)13-5-7/h3,5,8-9,14-15H,1-2,4H2,(H,12,13)
InChIKeyPQKFYJRKAZVXHA-UHFFFAOYSA-N
XLogP0.68
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-azido-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol
CID 170826178
3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydroxypropanamide
CID 171868320
tert-butyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171884997
1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol
CID 171861677
3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol
CID 171861738
1-(5-amino-6-methyl-3-pyridinyl)-3-chloropropane-1,2-diol
CID 171861696
2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride
CID 23000261
3-chloro-1-(2-methoxypyrimidin-5-yl)propane-1,2-diol
CID 171861723
5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171861687
5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 55255548
3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-amine
CID 169463682
3-chloro-1-(1H-imidazol-2-yl)propane-1,2-diol
CID 171861421

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol?
The IUPAC name of 3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol (CID 171862190) is 3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol.
What is the SMILES notation for 3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol?
The canonical SMILES for 3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol is OC(CCl)C(O)c1cnc2c(c1)CCN2.
What is the InChIKey of 3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol?
The InChIKey is PQKFYJRKAZVXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-4-8(14)9(15)7-3-6-1-2-12-10(6)13-5-7/h3,5,8-9,14-15H,1-2,4H2,(H,12,13).
What are the key properties of 3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol?
3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol has a molecular weight of 228.68 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,2-diol is sourced from PubChem (CID 171862190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).