(4-amino-3,5,6-trichloro-2-pyridinyl)methanediol

C6H5Cl3N2O2 — CID 169451317

IUPAC(4-amino-3,5,6-trichloro-2-pyridinyl)methanediol
SMILESNc1c(Cl)c(Cl)nc(C(O)O)c1Cl
InChIInChI=1S/C6H5Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h6,12-13H,(H2,10,11)
InChIKeyBASZUEWJKDUOHR-UHFFFAOYSA-N
MW243.48 g/mol
LogP1.61
Rot. Bonds1

About (4-amino-3,5,6-trichloro-2-pyridinyl)methanediol

(4-amino-3,5,6-trichloro-2-pyridinyl)methanediol (PubChem CID 169451317) has the molecular formula C6H5Cl3N2O2 and a molecular weight of 243.48 g/mol. Its IUPAC name is (4-amino-3,5,6-trichloro-2-pyridinyl)methanediol.

Molecular Properties

Compound Name(4-amino-3,5,6-trichloro-2-pyridinyl)methanediol
PubChem CID169451317
Molecular FormulaC6H5Cl3N2O2
Molecular Weight243.48 g/mol
Exact Mass241.94
IUPAC Name(4-amino-3,5,6-trichloro-2-pyridinyl)methanediol
SMILESNc1c(Cl)c(Cl)nc(C(O)O)c1Cl
InChIInChI=1S/C6H5Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h6,12-13H,(H2,10,11)
InChIKeyBASZUEWJKDUOHR-UHFFFAOYSA-N
XLogP1.61
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.48
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trichloro-6-hydrazinylpyridin-4-amine
CID 2388444
4-amino-3,5,6-trichloropyridine-2-carbaldehyde
CID 86070350
propyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 3090753
3,5,6-trichloro-2-N-propylpyridine-2,4-diamine
CID 102383001
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 7633740
(4-tert-butylphenyl)methyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 16577218
[2-(butan-2-ylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 4002610
nonyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 91732266
dipotassium;4-amino-3,6-dichloropyridine-2-carboxylate;4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 91827436
5,6-dichloro-2,4-dimethylpyridin-3-amine;ethane
CID 156715440
methyl 3-amino-4,5,6-trichloropyridine-2-carboxylate
CID 86668297
2-(4,5,6-trichloropyrimidin-2-yl)guanidine
CID 12789416

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5,6-trichloro-2-pyridinyl)methanediol?
The IUPAC name of (4-amino-3,5,6-trichloro-2-pyridinyl)methanediol (CID 169451317) is (4-amino-3,5,6-trichloro-2-pyridinyl)methanediol.
What is the SMILES notation for (4-amino-3,5,6-trichloro-2-pyridinyl)methanediol?
The canonical SMILES for (4-amino-3,5,6-trichloro-2-pyridinyl)methanediol is Nc1c(Cl)c(Cl)nc(C(O)O)c1Cl.
What is the InChIKey of (4-amino-3,5,6-trichloro-2-pyridinyl)methanediol?
The InChIKey is BASZUEWJKDUOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h6,12-13H,(H2,10,11).
What are the key properties of (4-amino-3,5,6-trichloro-2-pyridinyl)methanediol?
(4-amino-3,5,6-trichloro-2-pyridinyl)methanediol has a molecular weight of 243.48 g/mol, XLogP of 1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5,6-trichloro-2-pyridinyl)methanediol is sourced from PubChem (CID 169451317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).