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

C10H9ClN4 — CID 167523101

IUPAC2-amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile
SMILESCn1cc(Cl)c2cncc(C(N)C#N)c21
InChIInChI=1S/C10H9ClN4/c1-15-5-8(11)6-3-14-4-7(10(6)15)9(13)2-12/h3-5,9H,13H2,1H3
InChIKeyADNZJUBZBUWOID-UHFFFAOYSA-N
MW220.66 g/mol
LogP1.75
Rot. Bonds1

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

2-amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile (PubChem CID 167523101) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile
PubChem CID167523101
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name2-amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile
SMILESCn1cc(Cl)c2cncc(C(N)C#N)c21
InChIInChI=1S/C10H9ClN4/c1-15-5-8(11)6-3-14-4-7(10(6)15)9(13)2-12/h3-5,9H,13H2,1H3
InChIKeyADNZJUBZBUWOID-UHFFFAOYSA-N
XLogP1.75
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 51.75
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-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile?
The IUPAC name of 2-amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile (CID 167523101) is 2-amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile is Cn1cc(Cl)c2cncc(C(N)C#N)c21.
What is the InChIKey of 2-amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile?
The InChIKey is ADNZJUBZBUWOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c1-15-5-8(11)6-3-14-4-7(10(6)15)9(13)2-12/h3-5,9H,13H2,1H3.
What are the key properties of 2-amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile?
2-amino-2-(3-chloro-1-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile has a molecular weight of 220.66 g/mol, XLogP of 1.75, 1 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-methylpyrrolo[3,2-c]pyridin-7-yl)acetonitrile is sourced from PubChem (CID 167523101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).