N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine

C12H16ClN3 — CID 170352465

IUPACN-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C12H16ClN3/c1-8(2)16(3)7-9-6-15-12-11(9)10(13)4-5-14-12/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyLCWIGZPHNBSWLC-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.06
Rot. Bonds3

About N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine

N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine (PubChem CID 170352465) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine
PubChem CID170352465
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC NameN-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C12H16ClN3/c1-8(2)16(3)7-9-6-15-12-11(9)10(13)4-5-14-12/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyLCWIGZPHNBSWLC-UHFFFAOYSA-N
XLogP3.06
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine (CID 170352465) is N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine is CC(C)N(C)Cc1c[nH]c2nccc(Cl)c12.
What is the InChIKey of N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine?
The InChIKey is LCWIGZPHNBSWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-8(2)16(3)7-9-6-15-12-11(9)10(13)4-5-14-12/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine?
N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine has a molecular weight of 237.73 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 170352465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).