2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile

C19H10ClFN4 — CID 87456066

IUPAC2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile
SMILESCc1c(C#N)c(Cl)nc(-c2ccc(F)cc2)c1-c1ccncc1C#N
InChIInChI=1S/C19H10ClFN4/c1-11-16(9-23)19(20)25-18(12-2-4-14(21)5-3-12)17(11)15-6-7-24-10-13(15)8-22/h2-7,10H,1H3
InChIKeyRTMUCJDPUJDRKD-UHFFFAOYSA-N
MW348.77 g/mol
LogP4.65
Rot. Bonds2

About 2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile

2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile (PubChem CID 87456066) has the molecular formula C19H10ClFN4 and a molecular weight of 348.77 g/mol. Its IUPAC name is 2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile
PubChem CID87456066
Molecular FormulaC19H10ClFN4
Molecular Weight348.77 g/mol
Exact Mass348.06
IUPAC Name2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile
SMILESCc1c(C#N)c(Cl)nc(-c2ccc(F)cc2)c1-c1ccncc1C#N
InChIInChI=1S/C19H10ClFN4/c1-11-16(9-23)19(20)25-18(12-2-4-14(21)5-3-12)17(11)15-6-7-24-10-13(15)8-22/h2-7,10H,1H3
InChIKeyRTMUCJDPUJDRKD-UHFFFAOYSA-N
XLogP4.65
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 54.65
H-Bond Donors ≤ 50
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-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile (CID 87456066) is 2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile is Cc1c(C#N)c(Cl)nc(-c2ccc(F)cc2)c1-c1ccncc1C#N.
What is the InChIKey of 2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile?
The InChIKey is RTMUCJDPUJDRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClFN4/c1-11-16(9-23)19(20)25-18(12-2-4-14(21)5-3-12)17(11)15-6-7-24-10-13(15)8-22/h2-7,10H,1H3.
What are the key properties of 2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile?
2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile has a molecular weight of 348.77 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-cyano-4-pyridinyl)-6-(4-fluorophenyl)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 87456066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).