3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine

C8H7ClN2 — CID 53412640

IUPAC3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine
SMILESCc1ccc2[nH]cc(Cl)c2n1
InChIInChI=1S/C8H7ClN2/c1-5-2-3-7-8(11-5)6(9)4-10-7/h2-4,10H,1H3
InChIKeySRRDNVZWZKHKIS-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.52
Rot. Bonds

About 3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine

3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 53412640) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID53412640
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine
SMILESCc1ccc2[nH]cc(Cl)c2n1
InChIInChI=1S/C8H7ClN2/c1-5-2-3-7-8(11-5)6(9)4-10-7/h2-4,10H,1H3
InChIKeySRRDNVZWZKHKIS-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-1H-pyrrolo[3,2-b]pyridine;ethane
CID 144820313
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CID 166070006
7-chloro-2-methylsulfanyl-5H-pyrrolo[3,2-d]pyrimidine
CID 139269700
(5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate
CID 175391117
3-chloro-2-ethynyl-6-methylpyridine
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2,5-dimethyl-3-methylsulfanyl-1H-pyrrolo[3,2-b]pyridine
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CID 60978264
2,9-dimethyl-5H-pyrido[3,2-c][1,5]naphthyridin-6-one
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine (CID 53412640) is 3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine is Cc1ccc2[nH]cc(Cl)c2n1.
What is the InChIKey of 3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is SRRDNVZWZKHKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-5-2-3-7-8(11-5)6(9)4-10-7/h2-4,10H,1H3.
What are the key properties of 3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine?
3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 166.61 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 53412640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).