2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride

C10H12ClFIN3O3 — CID 146448217

IUPAC2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
SMILESCl.O=[N+]([O-])c1cc(I)c(OC[C@@H]2CCCN2)c(F)n1
InChIInChI=1S/C10H11FIN3O3.ClH/c11-10-9(18-5-6-2-1-3-13-6)7(12)4-8(14-10)15(16)17;/h4,6,13H,1-3,5H2;1H/t6-;/m0./s1
InChIKeyLFAVZXYUKIHCMZ-RGMNGODLSA-N
MW403.58 g/mol
LogP2.29
Rot. Bonds4

About 2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride

2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride (PubChem CID 146448217) has the molecular formula C10H12ClFIN3O3 and a molecular weight of 403.58 g/mol. Its IUPAC name is 2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
PubChem CID146448217
Molecular FormulaC10H12ClFIN3O3
Molecular Weight403.58 g/mol
Exact Mass402.96
IUPAC Name2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
SMILESCl.O=[N+]([O-])c1cc(I)c(OC[C@@H]2CCCN2)c(F)n1
InChIInChI=1S/C10H11FIN3O3.ClH/c11-10-9(18-5-6-2-1-3-13-6)7(12)4-8(14-10)15(16)17;/h4,6,13H,1-3,5H2;1H/t6-;/m0./s1
InChIKeyLFAVZXYUKIHCMZ-RGMNGODLSA-N
XLogP2.29
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.58
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-iodo-6-nitro-3-(pyrrolidin-2-ylmethoxy)pyridine;hydrochloride
CID 146448218
2-[(5-fluoro-4-iodo-2-nitrophenoxy)methyl]pyrrolidine
CID 66099909
(2S)-2-[(3-nitrophenoxy)methyl]pyrrolidine;hydrochloride
CID 67804264
2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine
CID 107260637
6-bromo-3-nitro-4-(pyrrolidin-2-ylmethoxy)quinoline
CID 62348341
2-[(3-ethoxy-5-nitrophenoxy)methyl]pyrrolidine
CID 80744438
(2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine
CID 107716862
2-[(3-nitro-5-propoxyphenoxy)methyl]pyrrolidine
CID 80744324
6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 81137313
2-[(2,3,5,6-tetrafluorophenoxy)methyl]piperidine
CID 103289558
5-nitro-2-[[(2S)-pyrrolidin-2-yl]methoxy]-1,3-benzothiazole
CID 97177944
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-1,3-benzoxazole
CID 97177921

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride?
The IUPAC name of 2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride (CID 146448217) is 2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride.
What is the SMILES notation for 2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride?
The canonical SMILES for 2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride is Cl.O=[N+]([O-])c1cc(I)c(OC[C@@H]2CCCN2)c(F)n1.
What is the InChIKey of 2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride?
The InChIKey is LFAVZXYUKIHCMZ-RGMNGODLSA-N. The full InChI is InChI=1S/C10H11FIN3O3.ClH/c11-10-9(18-5-6-2-1-3-13-6)7(12)4-8(14-10)15(16)17;/h4,6,13H,1-3,5H2;1H/t6-;/m0./s1.
What are the key properties of 2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride?
2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride has a molecular weight of 403.58 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride is sourced from PubChem (CID 146448217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).