(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol

C8H7ClN2O — CID 118140301

IUPAC(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol
SMILESOCc1cc2c(Cl)nccc2[nH]1
InChIInChI=1S/C8H7ClN2O/c9-8-6-3-5(4-12)11-7(6)1-2-10-8/h1-3,11-12H,4H2
InChIKeyRRQYAQZKRFQLBO-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.71
Rot. Bonds1

About (4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol

(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol (PubChem CID 118140301) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is (4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol
PubChem CID118140301
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol
SMILESOCc1cc2c(Cl)nccc2[nH]1
InChIInChI=1S/C8H7ClN2O/c9-8-6-3-5(4-12)11-7(6)1-2-10-8/h1-3,11-12H,4H2
InChIKeyRRQYAQZKRFQLBO-UHFFFAOYSA-N
XLogP1.71
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol?
The IUPAC name of (4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol (CID 118140301) is (4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol.
What is the SMILES notation for (4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol?
The canonical SMILES for (4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol is OCc1cc2c(Cl)nccc2[nH]1.
What is the InChIKey of (4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol?
The InChIKey is RRQYAQZKRFQLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-8-6-3-5(4-12)11-7(6)1-2-10-8/h1-3,11-12H,4H2.
What are the key properties of (4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol?
(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol has a molecular weight of 182.61 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methanol is sourced from PubChem (CID 118140301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).