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

C7H5ClF2N2O3 — CID 130074775

IUPAC[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1c(C(F)F)cc(Cl)nc1CO
InChIInChI=1S/C7H5ClF2N2O3/c8-5-1-3(7(9)10)6(12(14)15)4(2-13)11-5/h1,7,13H,2H2
InChIKeyFWQRQHAFFOXOEA-UHFFFAOYSA-N
MW238.58 g/mol
LogP2.07
Rot. Bonds3

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

[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol (PubChem CID 130074775) has the molecular formula C7H5ClF2N2O3 and a molecular weight of 238.58 g/mol. Its IUPAC name is [6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
PubChem CID130074775
Molecular FormulaC7H5ClF2N2O3
Molecular Weight238.58 g/mol
Exact Mass238.00
IUPAC Name[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1c(C(F)F)cc(Cl)nc1CO
InChIInChI=1S/C7H5ClF2N2O3/c8-5-1-3(7(9)10)6(12(14)15)4(2-13)11-5/h1,7,13H,2H2
InChIKeyFWQRQHAFFOXOEA-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

6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130071072
[6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol
CID 133104599
2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid
CID 118839869
6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130071247
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine
CID 130069737
[2-chloro-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119001037
[3-bromo-4-(difluoromethyl)-6-nitro-2-pyridinyl]methanol
CID 130069873
methyl 2-[4-(difluoromethyl)-6-fluoro-3-nitro-2-pyridinyl]acetate
CID 133105165
5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile
CID 130078702
2-[6-bromo-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134675378
4-(difluoromethyl)-6-(hydroxymethyl)-3-nitropyridine-2-carbonitrile
CID 119017707
[2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 119013250

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol?
The IUPAC name of [6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol (CID 130074775) is [6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol?
The canonical SMILES for [6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol is O=[N+]([O-])c1c(C(F)F)cc(Cl)nc1CO.
What is the InChIKey of [6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol?
The InChIKey is FWQRQHAFFOXOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O3/c8-5-1-3(7(9)10)6(12(14)15)4(2-13)11-5/h1,7,13H,2H2.
What are the key properties of [6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol?
[6-chloro-4-(difluoromethyl)-3-nitro-2-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 [6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol is sourced from PubChem (CID 130074775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).