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

C8H8ClF2NO — CID 130074320

IUPAC[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
SMILESCc1c(C(F)F)ncc(Cl)c1CO
InChIInChI=1S/C8H8ClF2NO/c1-4-5(3-13)6(9)2-12-7(4)8(10)11/h2,8,13H,3H2,1H3
InChIKeyNLBDNKILMSPDOU-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.47
Rot. Bonds2

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

[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol (PubChem CID 130074320) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is [5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
PubChem CID130074320
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
SMILESCc1c(C(F)F)ncc(Cl)c1CO
InChIInChI=1S/C8H8ClF2NO/c1-4-5(3-13)6(9)2-12-7(4)8(10)11/h2,8,13H,3H2,1H3
InChIKeyNLBDNKILMSPDOU-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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Related Compounds

methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134672127
5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262
[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol
CID 118832165
3,5-dichloro-2-(difluoromethyl)-4-methylpyridine
CID 130099262
4-chloro-6-(difluoromethyl)-5-methylpyridin-3-ol
CID 130072333
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826518
[5-chloro-6-(difluoromethyl)-4-methoxy-3-pyridinyl]methanol
CID 130073877
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625
[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 130074319
[2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine
CID 130080922
3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130108110

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol (CID 130074320) is [5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol is Cc1c(C(F)F)ncc(Cl)c1CO.
What is the InChIKey of [5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol?
The InChIKey is NLBDNKILMSPDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-4-5(3-13)6(9)2-12-7(4)8(10)11/h2,8,13H,3H2,1H3.
What are the key properties of [5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol?
[5-chloro-2-(difluoromethyl)-3-methyl-4-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 [5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol is sourced from PubChem (CID 130074320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).