1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile

C10H8N4 — CID 114649836

IUPAC1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ncccc1N
InChIInChI=1S/C10H8N4/c11-7-8-3-2-6-14(8)10-9(12)4-1-5-13-10/h1-6H,12H2
InChIKeyQXOQNAVQTYQRBQ-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.33
Rot. Bonds1

About 1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile

1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile (PubChem CID 114649836) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile
PubChem CID114649836
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ncccc1N
InChIInChI=1S/C10H8N4/c11-7-8-3-2-6-14(8)10-9(12)4-1-5-13-10/h1-6H,12H2
InChIKeyQXOQNAVQTYQRBQ-UHFFFAOYSA-N
XLogP1.33
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653245
2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
CID 114650657
1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653386
1-pyridin-2-ylpyrrole-2-carbonitrile
CID 114653179
1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile
CID 114052461
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile
CID 114653453
1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile
CID 114652377
1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile
CID 114649923
1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile
CID 114652110
6-(2-cyanopyrrol-1-yl)pyridine-3-carbonitrile
CID 114650786
1-(4-amino-2-chlorophenyl)pyrrole-2-carbonitrile
CID 114649933
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
CID 3717416

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile (CID 114649836) is 1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile is N#Cc1cccn1-c1ncccc1N.
What is the InChIKey of 1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile?
The InChIKey is QXOQNAVQTYQRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-7-8-3-2-6-14(8)10-9(12)4-1-5-13-10/h1-6H,12H2.
What are the key properties of 1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile?
1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 114649836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).