[2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol

C7H5ClF2N2O3 — CID 119013250

IUPAC[2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1cc(C(F)F)c(CO)c(Cl)n1
InChIInChI=1S/C7H5ClF2N2O3/c8-6-4(2-13)3(7(9)10)1-5(11-6)12(14)15/h1,7,13H,2H2
InChIKeyVNIMOCOQDDFVOO-UHFFFAOYSA-N
MW238.58 g/mol
LogP2.07
Rot. Bonds3

About [2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol

[2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol (PubChem CID 119013250) has the molecular formula C7H5ClF2N2O3 and a molecular weight of 238.58 g/mol. Its IUPAC name is [2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
PubChem CID119013250
Molecular FormulaC7H5ClF2N2O3
Molecular Weight238.58 g/mol
Exact Mass238.00
IUPAC Name[2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1cc(C(F)F)c(CO)c(Cl)n1
InChIInChI=1S/C7H5ClF2N2O3/c8-6-4(2-13)3(7(9)10)1-5(11-6)12(14)15/h1,7,13H,2H2
InChIKeyVNIMOCOQDDFVOO-UHFFFAOYSA-N
XLogP2.07
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.58
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

[3-bromo-4-(difluoromethyl)-6-nitro-2-pyridinyl]methanol
CID 130069873
[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]methanol
CID 118852204
[2-chloro-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119001037
3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 134676856
2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118991271
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
2-[4-(difluoromethyl)-3-hydroxy-6-nitro-2-pyridinyl]acetonitrile
CID 118823788
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
CID 130074775
4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
ethyl 2-[4-(difluoromethyl)-2-fluoro-6-nitro-3-pyridinyl]acetate
CID 133104916
ethyl 2-[2-cyano-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134671082

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol?
The IUPAC name of [2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol (CID 119013250) is [2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol?
The canonical SMILES for [2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol is O=[N+]([O-])c1cc(C(F)F)c(CO)c(Cl)n1.
What is the InChIKey of [2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol?
The InChIKey is VNIMOCOQDDFVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O3/c8-6-4(2-13)3(7(9)10)1-5(11-6)12(14)15/h1,7,13H,2H2.
What are the key properties of [2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol?
[2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol has a molecular weight of 238.58 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol is sourced from PubChem (CID 119013250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).