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

C8H8ClF2NO — CID 130074319

IUPAC[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
SMILESCc1ncc(C(F)F)c(Cl)c1CO
InChIInChI=1S/C8H8ClF2NO/c1-4-6(3-13)7(9)5(2-12-4)8(10)11/h2,8,13H,3H2,1H3
InChIKeyIZHJGCHAFJTVBR-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.47
Rot. Bonds2

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

[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol (PubChem CID 130074319) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is [4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
PubChem CID130074319
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
SMILESCc1ncc(C(F)F)c(Cl)c1CO
InChIInChI=1S/C8H8ClF2NO/c1-4-6(3-13)7(9)5(2-12-4)8(10)11/h2,8,13H,3H2,1H3
InChIKeyIZHJGCHAFJTVBR-UHFFFAOYSA-N
XLogP2.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol (CID 130074319) is [4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol is Cc1ncc(C(F)F)c(Cl)c1CO.
What is the InChIKey of [4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol?
The InChIKey is IZHJGCHAFJTVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-4-6(3-13)7(9)5(2-12-4)8(10)11/h2,8,13H,3H2,1H3.
What are the key properties of [4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol?
[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol has a molecular weight of 207.61 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 130074319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).