3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane

C12H13ClN2 — CID 167521690

IUPAC3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane
SMILESC#Cn1cc(Cl)c2cncc(C)c21.CC
InChIInChI=1S/C10H7ClN2.C2H6/c1-3-13-6-9(11)8-5-12-4-7(2)10(8)13;1-2/h1,4-6H,2H3;1-2H3
InChIKeySQQFIPFIIPMGHS-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.46
Rot. Bonds

About 3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane

3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane (PubChem CID 167521690) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane.

Molecular Properties

Compound Name3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane
PubChem CID167521690
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane
SMILESC#Cn1cc(Cl)c2cncc(C)c21.CC
InChIInChI=1S/C10H7ClN2.C2H6/c1-3-13-6-9(11)8-5-12-4-7(2)10(8)13;1-2/h1,4-6H,2H3;1-2H3
InChIKeySQQFIPFIIPMGHS-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-Chloropyridin-3-yl)methyl]indole
CID 3805426
1-benzyl-6-chloro-1H-pyrrolo(3,2-c)pyridine-7-carbonitrile
CID 12490983
6-Chloro-1H-pyrrolo(3,2-c)pyridine
CID 12575516
7-chloro-1-methyl-1H-pyrrolo[2,3-c]pyridine
CID 59424476
4-Chloro-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine
CID 13257545
1H-Pyrrolo(3,2-c)pyridine, 6-chloro-3-((dimethylamino)methyl)-, dihydrochloride, hydrate
CID 24845726
1-chloro-5,6,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine hydrochloride
CID 13257546
6-chloro-1,3-dimethyl-1H-pyrazolo(4,3-c)pyridine
CID 83828454
5-chloro-1-methyl-1H-pyrrolo[2,3-c]pyridine
CID 90025089
1H-Indole, 3-chloro-1-methyl-
CID 11252201
1,2-Dimethyl-1H-pyrrolo[3,2-C]pyridine
CID 20817285
3-(Dimethylaminomethyl)-6-chloro-5-aza-indole
CID 12575517

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane?
The IUPAC name of 3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane (CID 167521690) is 3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane.
What is the SMILES notation for 3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane?
The canonical SMILES for 3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane is C#Cn1cc(Cl)c2cncc(C)c21.CC.
What is the InChIKey of 3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane?
The InChIKey is SQQFIPFIIPMGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2.C2H6/c1-3-13-6-9(11)8-5-12-4-7(2)10(8)13;1-2/h1,4-6H,2H3;1-2H3.
What are the key properties of 3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane?
3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane has a molecular weight of 220.70 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethynyl-7-methylpyrrolo[3,2-c]pyridine;ethane is sourced from PubChem (CID 167521690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).