[1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol

C9H9ClF3N3O — CID 118246476

IUPAC[1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol
SMILESOCC1N(c2nc(Cl)ncc2F)CCC1(F)F
InChIInChI=1S/C9H9ClF3N3O/c10-8-14-3-5(11)7(15-8)16-2-1-9(12,13)6(16)4-17/h3,6,17H,1-2,4H2
InChIKeyNOIVANYHVHKQSO-UHFFFAOYSA-N
MW267.64 g/mol
LogP1.48
Rot. Bonds2

About [1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol

[1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol (PubChem CID 118246476) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is [1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol
PubChem CID118246476
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name[1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol
SMILESOCC1N(c2nc(Cl)ncc2F)CCC1(F)F
InChIInChI=1S/C9H9ClF3N3O/c10-8-14-3-5(11)7(15-8)16-2-1-9(12,13)6(16)4-17/h3,6,17H,1-2,4H2
InChIKeyNOIVANYHVHKQSO-UHFFFAOYSA-N
XLogP1.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-(4-Aminopyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 115978244
2-[(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol
CID 50962051
[1-[2-[2-(Hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 71922529
[(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol
CID 128979550
[1-(2-Amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]methanol
CID 70976626
(5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-2-one
CID 90458679
1-(2-Chloro-5-fluoropyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-2-one
CID 90458681
2-chloro-4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-ol
CID 118238234
2-Chloro-4-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-ol
CID 118238235
(3R,5S)-1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol
CID 169118694
(3S,5S)-1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol
CID 169118973
(3S,5S)-5-methyl-1-[5-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 177769968

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol (CID 118246476) is [1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol is OCC1N(c2nc(Cl)ncc2F)CCC1(F)F.
What is the InChIKey of [1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol?
The InChIKey is NOIVANYHVHKQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c10-8-14-3-5(11)7(15-8)16-2-1-9(12,13)6(16)4-17/h3,6,17H,1-2,4H2.
What are the key properties of [1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol?
[1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol has a molecular weight of 267.64 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 118246476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).