2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile

C11H7ClN2O — CID 82114108

IUPAC2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
SMILESCc1cnc(Cl)c(C#N)c1-c1ccco1
InChIInChI=1S/C11H7ClN2O/c1-7-6-14-11(12)8(5-13)10(7)9-3-2-4-15-9/h2-4,6H,1H3
InChIKeyPVXDJKOTOXKIBA-UHFFFAOYSA-N
MW218.64 g/mol
LogP3.18
Rot. Bonds1

About 2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile

2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile (PubChem CID 82114108) has the molecular formula C11H7ClN2O and a molecular weight of 218.64 g/mol. Its IUPAC name is 2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
PubChem CID82114108
Molecular FormulaC11H7ClN2O
Molecular Weight218.64 g/mol
Exact Mass218.02
IUPAC Name2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
SMILESCc1cnc(Cl)c(C#N)c1-c1ccco1
InChIInChI=1S/C11H7ClN2O/c1-7-6-14-11(12)8(5-13)10(7)9-3-2-4-15-9/h2-4,6H,1H3
InChIKeyPVXDJKOTOXKIBA-UHFFFAOYSA-N
XLogP3.18
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile (CID 82114108) is 2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile is Cc1cnc(Cl)c(C#N)c1-c1ccco1.
What is the InChIKey of 2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile?
The InChIKey is PVXDJKOTOXKIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O/c1-7-6-14-11(12)8(5-13)10(7)9-3-2-4-15-9/h2-4,6H,1H3.
What are the key properties of 2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile?
2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile has a molecular weight of 218.64 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 82114108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).