4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

C9H6ClN3 — CID 123135259

IUPAC4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
SMILESCc1cc2c(Cl)cc(C#N)nc2[nH]1
InChIInChI=1S/C9H6ClN3/c1-5-2-7-8(10)3-6(4-11)13-9(7)12-5/h2-3H,1H3,(H,12,13)
InChIKeyVACZGRLSVDQWFW-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.40
Rot. Bonds

About 4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile

4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (PubChem CID 123135259) has the molecular formula C9H6ClN3 and a molecular weight of 191.62 g/mol. Its IUPAC name is 4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
PubChem CID123135259
Molecular FormulaC9H6ClN3
Molecular Weight191.62 g/mol
Exact Mass191.03
IUPAC Name4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
SMILESCc1cc2c(Cl)cc(C#N)nc2[nH]1
InChIInChI=1S/C9H6ClN3/c1-5-2-7-8(10)3-6(4-11)13-9(7)12-5/h2-3H,1H3,(H,12,13)
InChIKeyVACZGRLSVDQWFW-UHFFFAOYSA-N
XLogP2.40
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The IUPAC name of 4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (CID 123135259) is 4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile.
What is the SMILES notation for 4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The canonical SMILES for 4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is Cc1cc2c(Cl)cc(C#N)nc2[nH]1.
What is the InChIKey of 4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The InChIKey is VACZGRLSVDQWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3/c1-5-2-7-8(10)3-6(4-11)13-9(7)12-5/h2-3H,1H3,(H,12,13).
What are the key properties of 4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile has a molecular weight of 191.62 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is sourced from PubChem (CID 123135259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).