3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine

C16H14ClN3 — CID 169260593

IUPAC3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine
SMILESCn1cc(/C=C/c2ccc(Cl)cc2)c2cc(N)cnc21
InChIInChI=1S/C16H14ClN3/c1-20-10-12(15-8-14(18)9-19-16(15)20)5-2-11-3-6-13(17)7-4-11/h2-10H,18H2,1H3/b5-2+
InChIKeyWZVREICDRKCSOC-GORDUTHDSA-N
MW283.76 g/mol
LogP3.98
Rot. Bonds2

About 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine

3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine (PubChem CID 169260593) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine
PubChem CID169260593
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine
SMILESCn1cc(/C=C/c2ccc(Cl)cc2)c2cc(N)cnc21
InChIInChI=1S/C16H14ClN3/c1-20-10-12(15-8-14(18)9-19-16(15)20)5-2-11-3-6-13(17)7-4-11/h2-10H,18H2,1H3/b5-2+
InChIKeyWZVREICDRKCSOC-GORDUTHDSA-N
XLogP3.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoroprop-2-enamide
CID 169260673
N-[3-[2-(3-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 170318346
N-[3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 170318313
5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile
CID 154087264
1-methyl-3-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]indole
CID 918978
4-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]aniline
CID 12845041
4-[(E)-2-(4-chloro-1-methylpyrazol-5-yl)ethenyl]aniline
CID 12845057
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
5-(4-chlorophenyl)-6-methylpyridin-3-amine
CID 165369043
5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole
CID 67635147
5-chloro-3-[(E)-2-[5-(chloromethyl)-1H-pyrazol-3-yl]ethenyl]-1-methylindole
CID 139994643
2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine
CID 6434075

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine (CID 169260593) is 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine is Cn1cc(/C=C/c2ccc(Cl)cc2)c2cc(N)cnc21.
What is the InChIKey of 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is WZVREICDRKCSOC-GORDUTHDSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-20-10-12(15-8-14(18)9-19-16(15)20)5-2-11-3-6-13(17)7-4-11/h2-10H,18H2,1H3/b5-2+.
What are the key properties of 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine?
3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 283.76 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 169260593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).