2-chloro-7-fluoro-4-methoxy-1-methylindole

C10H9ClFNO — CID 155121997

IUPAC2-chloro-7-fluoro-4-methoxy-1-methylindole
SMILESCOc1ccc(F)c2c1cc(Cl)n2C
InChIInChI=1S/C10H9ClFNO/c1-13-9(11)5-6-8(14-2)4-3-7(12)10(6)13/h3-5H,1-2H3
InChIKeyAXAIJKGUBSQWRK-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.98
Rot. Bonds1

About 2-chloro-7-fluoro-4-methoxy-1-methylindole

2-chloro-7-fluoro-4-methoxy-1-methylindole (PubChem CID 155121997) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 2-chloro-7-fluoro-4-methoxy-1-methylindole.

Molecular Properties

Compound Name2-chloro-7-fluoro-4-methoxy-1-methylindole
PubChem CID155121997
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name2-chloro-7-fluoro-4-methoxy-1-methylindole
SMILESCOc1ccc(F)c2c1cc(Cl)n2C
InChIInChI=1S/C10H9ClFNO/c1-13-9(11)5-6-8(14-2)4-3-7(12)10(6)13/h3-5H,1-2H3
InChIKeyAXAIJKGUBSQWRK-UHFFFAOYSA-N
XLogP2.98
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Hamaline
CID 145927371
Ucm-454
CID 10428383
6-methoxy-1-methyl-1H-indole
CID 4777929
4-Methoxy-1-methylindole
CID 595238
9-[(4-Chlorophenyl)methyl]-5-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indole
CID 162644343
4-Chloro-7-methoxy-2-methylquinoline
CID 10822232
2-Chloro-5-methoxyquinoline
CID 11019719
5-Methoxy-1,2-dimethyl-1H-indole
CID 600315
7-Methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole
CID 118384447
2-Chloro-7-methoxyquinoline
CID 12415558
4-Chloro-5-methoxyquinoline
CID 21399759
3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
CID 44568286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-4-methoxy-1-methylindole?
The IUPAC name of 2-chloro-7-fluoro-4-methoxy-1-methylindole (CID 155121997) is 2-chloro-7-fluoro-4-methoxy-1-methylindole.
What is the SMILES notation for 2-chloro-7-fluoro-4-methoxy-1-methylindole?
The canonical SMILES for 2-chloro-7-fluoro-4-methoxy-1-methylindole is COc1ccc(F)c2c1cc(Cl)n2C.
What is the InChIKey of 2-chloro-7-fluoro-4-methoxy-1-methylindole?
The InChIKey is AXAIJKGUBSQWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c1-13-9(11)5-6-8(14-2)4-3-7(12)10(6)13/h3-5H,1-2H3.
What are the key properties of 2-chloro-7-fluoro-4-methoxy-1-methylindole?
2-chloro-7-fluoro-4-methoxy-1-methylindole has a molecular weight of 213.64 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-4-methoxy-1-methylindole is sourced from PubChem (CID 155121997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).