1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine

C16H15ClFN3 — CID 115983327

IUPAC1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2cccc(F)c2Cl)c2ncccc12
InChIInChI=1S/C16H15ClFN3/c1-19-8-12-10-21(16-13(12)5-3-7-20-16)9-11-4-2-6-14(18)15(11)17/h2-7,10,19H,8-9H2,1H3
InChIKeyWEHOIBGWEZMCJH-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.60
Rot. Bonds4

About 1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine

1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine (PubChem CID 115983327) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
PubChem CID115983327
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2cccc(F)c2Cl)c2ncccc12
InChIInChI=1S/C16H15ClFN3/c1-19-8-12-10-21(16-13(12)5-3-7-20-16)9-11-4-2-6-14(18)15(11)17/h2-7,10,19H,8-9H2,1H3
InChIKeyWEHOIBGWEZMCJH-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 105405146
1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 66411003
[1-[(3-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 102856709
2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
CID 66411195
3-[[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzonitrile
CID 66412370
N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66410806
[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 114930868
4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol
CID 66413359
1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 66411193
5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
CID 66411011
1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine
CID 102856737
1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 66412959

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine (CID 115983327) is 1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine is CNCc1cn(Cc2cccc(F)c2Cl)c2ncccc12.
What is the InChIKey of 1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is WEHOIBGWEZMCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-19-8-12-10-21(16-13(12)5-3-7-20-16)9-11-4-2-6-14(18)15(11)17/h2-7,10,19H,8-9H2,1H3.
What are the key properties of 1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 303.77 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 115983327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).