4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine

C16H16ClN3 — CID 143475544

IUPAC4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)C(c1cccnc1)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C16H16ClN3/c1-10(2)14(11-4-3-6-18-8-11)12-9-20-16-15(12)13(17)5-7-19-16/h3-10,14H,1-2H3,(H,19,20)
InChIKeyZBHZCAVCDZEBNI-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.40
Rot. Bonds3

About 4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine

4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 143475544) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID143475544
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)C(c1cccnc1)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C16H16ClN3/c1-10(2)14(11-4-3-6-18-8-11)12-9-20-16-15(12)13(17)5-7-19-16/h3-10,14H,1-2H3,(H,19,20)
InChIKeyZBHZCAVCDZEBNI-UHFFFAOYSA-N
XLogP4.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 46178745
3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine
CID 70909510
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroxypropanenitrile
CID 171871361
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 46178830
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine
CID 170352465
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
(1R)-N-methoxy-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 144904680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine (CID 143475544) is 4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine is CC(C)C(c1cccnc1)c1c[nH]c2nccc(Cl)c12.
What is the InChIKey of 4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZBHZCAVCDZEBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-10(2)14(11-4-3-6-18-8-11)12-9-20-16-15(12)13(17)5-7-19-16/h3-10,14H,1-2H3,(H,19,20).
What are the key properties of 4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine?
4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 285.78 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-methyl-1-pyridin-3-ylpropyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143475544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).