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

C7H5ClF2N2O3 — CID 130074796

IUPAC[5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1c(Cl)cnc(CO)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O3/c8-3-1-11-4(2-13)5(7(9)10)6(3)12(14)15/h1,7,13H,2H2
InChIKeyYFYZPSYEKRZXGA-UHFFFAOYSA-N
MW238.58 g/mol
LogP2.07
Rot. Bonds3

About [5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol

[5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol (PubChem CID 130074796) has the molecular formula C7H5ClF2N2O3 and a molecular weight of 238.58 g/mol. Its IUPAC name is [5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
PubChem CID130074796
Molecular FormulaC7H5ClF2N2O3
Molecular Weight238.58 g/mol
Exact Mass238.00
IUPAC Name[5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1c(Cl)cnc(CO)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O3/c8-3-1-11-4(2-13)5(7(9)10)6(3)12(14)15/h1,7,13H,2H2
InChIKeyYFYZPSYEKRZXGA-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069878
[3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol
CID 130088275
[5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol
CID 133100021
5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130073070
[2-chloro-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119001037
5-chloro-4-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
CID 134669618
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835
[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
CID 130074775
[6-(difluoromethyl)-4-fluoro-5-nitro-3-pyridinyl]methanol
CID 133104596
5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide
CID 134685598
[6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol
CID 118809092
5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine
CID 130074733

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol?
The IUPAC name of [5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol (CID 130074796) is [5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol?
The canonical SMILES for [5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol is O=[N+]([O-])c1c(Cl)cnc(CO)c1C(F)F.
What is the InChIKey of [5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol?
The InChIKey is YFYZPSYEKRZXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O3/c8-3-1-11-4(2-13)5(7(9)10)6(3)12(14)15/h1,7,13H,2H2.
What are the key properties of [5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol?
[5-chloro-3-(difluoromethyl)-4-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 [5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol is sourced from PubChem (CID 130074796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).