6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole

C12H10ClN3 — CID 137253050

IUPAC6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole
SMILESCn1nc2cc(Cl)ccc2c1-c1ccc[nH]1
InChIInChI=1S/C12H10ClN3/c1-16-12(10-3-2-6-14-10)9-5-4-8(13)7-11(9)15-16/h2-7,14H,1H3
InChIKeyULQCKSXTEUJRGJ-UHFFFAOYSA-N
MW231.69 g/mol
LogP3.22
Rot. Bonds1

About 6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole

6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole (PubChem CID 137253050) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole
PubChem CID137253050
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole
SMILESCn1nc2cc(Cl)ccc2c1-c1ccc[nH]1
InChIInChI=1S/C12H10ClN3/c1-16-12(10-3-2-6-14-10)9-5-4-8(13)7-11(9)15-16/h2-7,14H,1H3
InChIKeyULQCKSXTEUJRGJ-UHFFFAOYSA-N
XLogP3.22
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1-ethyl-3-(1H-pyrrol-2-yl)indazole
CID 137253043
1-(6-chloro-2-methylindazol-3-yl)-N-methylmethanamine
CID 84722980
6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine
CID 162418858
1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole
CID 136967042
2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-5-chloro-1,3-benzoxazole
CID 163363525
1-methyl-3-(1H-pyrrol-2-yl)pyrrole
CID 167296884
6-chloro-1-methyl-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)indazole
CID 137153210
3-(6-chloro-3-methylindazol-2-yl)propan-1-amine
CID 84725364
2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine
CID 84725366
1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine
CID 103341628
4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 136631027
7-chloro-3-methylpyrazolo[5,4-c]quinolin-4-amine
CID 175509208

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole?
The IUPAC name of 6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole (CID 137253050) is 6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole.
What is the SMILES notation for 6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole?
The canonical SMILES for 6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole is Cn1nc2cc(Cl)ccc2c1-c1ccc[nH]1.
What is the InChIKey of 6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole?
The InChIKey is ULQCKSXTEUJRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c1-16-12(10-3-2-6-14-10)9-5-4-8(13)7-11(9)15-16/h2-7,14H,1H3.
What are the key properties of 6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole?
6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole has a molecular weight of 231.69 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(1H-pyrrol-2-yl)indazole is sourced from PubChem (CID 137253050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).