(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol

C14H12BrClFNO — CID 106762147

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
SMILESCc1cnc(C(O)c2ccc(Br)c(Cl)c2F)c(C)c1
InChIInChI=1S/C14H12BrClFNO/c1-7-5-8(2)13(18-6-7)14(19)9-3-4-10(15)11(16)12(9)17/h3-6,14,19H,1-2H3
InChIKeyITTDGIZQBDSBRJ-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.34
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol

(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol (PubChem CID 106762147) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
PubChem CID106762147
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
SMILESCc1cnc(C(O)c2ccc(Br)c(Cl)c2F)c(C)c1
InChIInChI=1S/C14H12BrClFNO/c1-7-5-8(2)13(18-6-7)14(19)9-3-4-10(15)11(16)12(9)17/h3-6,14,19H,1-2H3
InChIKeyITTDGIZQBDSBRJ-UHFFFAOYSA-N
XLogP4.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 106762929
(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
CID 106761323
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106765154
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
CID 106765137
(4-chlorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365542
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-fluorophenyl)methanol
CID 106761336
(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 106765130
(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365534
(4-bromo-3-chloro-2-fluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 106765132
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol
CID 106859646
(3-bromo-2-chlorophenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107516210
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 106268375

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol (CID 106762147) is (4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol is Cc1cnc(C(O)c2ccc(Br)c(Cl)c2F)c(C)c1.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol?
The InChIKey is ITTDGIZQBDSBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-7-5-8(2)13(18-6-7)14(19)9-3-4-10(15)11(16)12(9)17/h3-6,14,19H,1-2H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol?
(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol has a molecular weight of 344.61 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol is sourced from PubChem (CID 106762147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).