2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile

C11H11ClN4 — CID 167523324

IUPAC2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile
SMILESCCn1cc(Cl)c2cncc(C(N)C#N)c21
InChIInChI=1S/C11H11ClN4/c1-2-16-6-9(12)7-4-15-5-8(11(7)16)10(14)3-13/h4-6,10H,2,14H2,1H3
InChIKeyRQNAUAOEBCXZKW-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.23
Rot. Bonds2

About 2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile

2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile (PubChem CID 167523324) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile
PubChem CID167523324
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile
SMILESCCn1cc(Cl)c2cncc(C(N)C#N)c21
InChIInChI=1S/C11H11ClN4/c1-2-16-6-9(12)7-4-15-5-8(11(7)16)10(14)3-13/h4-6,10H,2,14H2,1H3
InChIKeyRQNAUAOEBCXZKW-UHFFFAOYSA-N
XLogP2.23
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-6-chloro-1H-pyrrolo(3,2-c)pyridine-7-carbonitrile
CID 12490983
6-chloro-1H-pyrrolo(3,2-c)pyridine-7-carbonitrile
CID 129779164
4-Cyano-7-chloro-Saaindole
CID 53399461
3-(Dimethylaminomethyl)-6-chloro-5-aza-indole
CID 12575517
4-Chloro-1-methyl-1H-pyrrolo[3,2-C]pyridine
CID 12927570
1-benzyl-4-chloro-1H-pyrrolo[3,2-c]pyridine
CID 12927571
6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile
CID 15570578
6-Chloro-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine
CID 123591309
6-Chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine
CID 129271181
3-Chloro-7-fluoro-1H-pyrrolo[3,2-c]pyridine
CID 133059098
6-Chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane
CID 144632988
4-Chloro-1-(4-fluorobutyl)pyrrolo[3,2-c]pyridine
CID 146288131

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile?
The IUPAC name of 2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile (CID 167523324) is 2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile is CCn1cc(Cl)c2cncc(C(N)C#N)c21.
What is the InChIKey of 2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile?
The InChIKey is RQNAUAOEBCXZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-2-16-6-9(12)7-4-15-5-8(11(7)16)10(14)3-13/h4-6,10H,2,14H2,1H3.
What are the key properties of 2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile?
2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile has a molecular weight of 234.69 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile is sourced from PubChem (CID 167523324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).