4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine

C9H4F2IN3 — CID 89459196

IUPAC4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine
SMILESFc1ccc(-c2cc(I)ncn2)c(F)n1
InChIInChI=1S/C9H4F2IN3/c10-7-2-1-5(9(11)15-7)6-3-8(12)14-4-13-6/h1-4H
InChIKeyIHFDSRIVBNRSSN-UHFFFAOYSA-N
MW319.05 g/mol
LogP2.42
Rot. Bonds1

About 4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine

4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine (PubChem CID 89459196) has the molecular formula C9H4F2IN3 and a molecular weight of 319.05 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine.

Molecular Properties

Compound Name4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine
PubChem CID89459196
Molecular FormulaC9H4F2IN3
Molecular Weight319.05 g/mol
Exact Mass318.94
IUPAC Name4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine
SMILESFc1ccc(-c2cc(I)ncn2)c(F)n1
InChIInChI=1S/C9H4F2IN3/c10-7-2-1-5(9(11)15-7)6-3-8(12)14-4-13-6/h1-4H
InChIKeyIHFDSRIVBNRSSN-UHFFFAOYSA-N
XLogP2.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.05
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Phenylpyrimidine
CID 18923
4-Iodo-6-phenylpyrimidine
CID 817368
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
N-phenyl-4-(pyridin-3-yl)pyrimidin-2-amine
CID 11311217
2-Chloro-4-phenylpyrimidine
CID 605356
4-Phenyl-5-pyridin-4-ylpyrimidin-2-amine
CID 9856296
N-(3-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 14347107
4-(2,6-Difluoro-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 44568832
5-((6-Phenylpyridin-3-yl)methyl)pyrimidine
CID 57330079
6-Phenylpyrimidin-4-amine
CID 817383
2-Chloro-4-(pyridin-3-yl)pyrimidine
CID 11805543
4-phenyl-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine
CID 756538

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine?
The IUPAC name of 4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine (CID 89459196) is 4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine.
What is the SMILES notation for 4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine?
The canonical SMILES for 4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine is Fc1ccc(-c2cc(I)ncn2)c(F)n1.
What is the InChIKey of 4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine?
The InChIKey is IHFDSRIVBNRSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2IN3/c10-7-2-1-5(9(11)15-7)6-3-8(12)14-4-13-6/h1-4H.
What are the key properties of 4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine?
4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine has a molecular weight of 319.05 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine is sourced from PubChem (CID 89459196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).