2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile

C11H7ClN4 — CID 70682588

IUPAC2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1cccnc1Cl
InChIInChI=1S/C11H7ClN4/c12-10-9(4-2-5-14-10)16-11-8(7-13)3-1-6-15-11/h1-6H,(H,15,16)
InChIKeyQPNXURSCXRENGF-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.75
Rot. Bonds2

About 2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile

2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile (PubChem CID 70682588) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile
PubChem CID70682588
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1cccnc1Cl
InChIInChI=1S/C11H7ClN4/c12-10-9(4-2-5-14-10)16-11-8(7-13)3-1-6-15-11/h1-6H,(H,15,16)
InChIKeyQPNXURSCXRENGF-UHFFFAOYSA-N
XLogP2.75
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile (CID 70682588) is 2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile is N#Cc1cccnc1Nc1cccnc1Cl.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile?
The InChIKey is QPNXURSCXRENGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-10-9(4-2-5-14-10)16-11-8(7-13)3-1-6-15-11/h1-6H,(H,15,16).
What are the key properties of 2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile?
2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile has a molecular weight of 230.66 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 70682588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).