3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid

C8H5ClN2O2 — CID 123312715

IUPAC3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid
SMILESO=C(O)n1cc(Cl)c2cnccc21
InChIInChI=1S/C8H5ClN2O2/c9-6-4-11(8(12)13)7-1-2-10-3-5(6)7/h1-4H,(H,12,13)
InChIKeyXRFOISFUIQDLNU-UHFFFAOYSA-N
MW196.59 g/mol
LogP2.22
Rot. Bonds

About 3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid

3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid (PubChem CID 123312715) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is 3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid
PubChem CID123312715
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Name3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid
SMILESO=C(O)n1cc(Cl)c2cnccc21
InChIInChI=1S/C8H5ClN2O2/c9-6-4-11(8(12)13)7-1-2-10-3-5(6)7/h1-4H,(H,12,13)
InChIKeyXRFOISFUIQDLNU-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 102142656
CID 102142656
8-hydroxy-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118518246
1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
CID 162652251
tert-butyl 3-(1-hydroxy-1-phenylethyl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 101385624
1-methylpyrrolo[3,2-c]pyridin-3-ol
CID 137437348
1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
CID 69398558
5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid
CID 170451691
6-chloroisoquinoline-5-carboxylic acid
CID 82574726
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
6-oxopyrimidine-1-carboxylic acid
CID 174785991
1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 90178300
1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid
CID 115009157

Frequently Asked Questions

What is the IUPAC name of 3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid?
The IUPAC name of 3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid (CID 123312715) is 3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid?
The canonical SMILES for 3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid is O=C(O)n1cc(Cl)c2cnccc21.
What is the InChIKey of 3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid?
The InChIKey is XRFOISFUIQDLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2/c9-6-4-11(8(12)13)7-1-2-10-3-5(6)7/h1-4H,(H,12,13).
What are the key properties of 3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid?
3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid has a molecular weight of 196.59 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 123312715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).