2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine

C8H6ClFIN — CID 177044526

IUPAC2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine
SMILESFc1c(Cl)ncc(C2CC2)c1I
InChIInChI=1S/C8H6ClFIN/c9-8-6(10)7(11)5(3-12-8)4-1-2-4/h3-4H,1-2H2
InChIKeyTZSFVPNPAYEHJX-UHFFFAOYSA-N
MW297.50 g/mol
LogP3.36
Rot. Bonds1

About 2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine

2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine (PubChem CID 177044526) has the molecular formula C8H6ClFIN and a molecular weight of 297.50 g/mol. Its IUPAC name is 2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine.

Molecular Properties

Compound Name2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine
PubChem CID177044526
Molecular FormulaC8H6ClFIN
Molecular Weight297.50 g/mol
Exact Mass296.92
IUPAC Name2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine
SMILESFc1c(Cl)ncc(C2CC2)c1I
InChIInChI=1S/C8H6ClFIN/c9-8-6(10)7(11)5(3-12-8)4-1-2-4/h3-4H,1-2H2
InChIKeyTZSFVPNPAYEHJX-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-chloro-3-cyclopropyl-5-methylpyridine
CID 130050341
2-chloro-3,4,5-trifluoropyridine
CID 18698768
4-chloro-7-cyclopropyl-3-methylthieno[3,2-c]pyridine
CID 130048743
4-chloro-2-cyclopropyl-5-iodopyrimidine
CID 66292052
6-chloro-5-cyclopropyl-1H-pyrimidin-2-one
CID 117260838
6-cyclopropyl-5-iodopyrimidin-4-amine
CID 66303587
5-chloro-4-cyclopropyl-2-methylpyridine
CID 172907560
4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexane-1-carbonitrile
CID 142279702
6-bromo-3-chloro-4-fluoro-7,8-dihydro-6H-isoquinolin-5-one
CID 138978959
1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene
CID 90437136
2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine
CID 155269851
2-chloro-4-(difluoromethyl)-3,5-difluoropyridine
CID 130099578

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine?
The IUPAC name of 2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine (CID 177044526) is 2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine.
What is the SMILES notation for 2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine?
The canonical SMILES for 2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine is Fc1c(Cl)ncc(C2CC2)c1I.
What is the InChIKey of 2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine?
The InChIKey is TZSFVPNPAYEHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFIN/c9-8-6(10)7(11)5(3-12-8)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine?
2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine has a molecular weight of 297.50 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclopropyl-3-fluoro-4-iodopyridine is sourced from PubChem (CID 177044526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).