[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol

C14H21ClN2O — CID 114920499

IUPAC[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol
SMILESCC(C)(C)C1CCN(c2cc(CO)c(Cl)cn2)C1
InChIInChI=1S/C14H21ClN2O/c1-14(2,3)11-4-5-17(8-11)13-6-10(9-18)12(15)7-16-13/h6-7,11,18H,4-5,8-9H2,1-3H3
InChIKeyFRRAEHBKPKDNPC-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.10
Rot. Bonds2

About [2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol

[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol (PubChem CID 114920499) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol
PubChem CID114920499
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol
SMILESCC(C)(C)C1CCN(c2cc(CO)c(Cl)cn2)C1
InChIInChI=1S/C14H21ClN2O/c1-14(2,3)11-4-5-17(8-11)13-6-10(9-18)12(15)7-16-13/h6-7,11,18H,4-5,8-9H2,1-3H3
InChIKeyFRRAEHBKPKDNPC-UHFFFAOYSA-N
XLogP3.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(Dimethylamino)pyridin-4-yl]methanol
CID 22625066
{(3R*,4R*)-1-(3-chloropyridin-2-yl)-4-[(4-ethylpiperazin-1-yl)methyl]pyrrolidin-3-yl}methanol
CID 72940680
[2-(Pyrrolidin-1-yl)pyridin-4-yl]methanol
CID 18525846
{(3R*,4R*)-1-(5-chloropyridin-2-yl)-4-[(4-ethylpiperazin-1-yl)methyl]pyrrolidin-3-yl}methanol
CID 72899711
5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
CID 130184615
1-[5-Chloro-4-(trifluoromethyl)pyridin-2-yl]-3-methyl-2,5-dihydropyrrol-2-ol
CID 146216259
[5-Chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
CID 55008687
[5-Chloro-6-[propyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
CID 55009232
[5-Chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
CID 55009331
(1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)methanol
CID 55064792
[5-Chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
CID 61254991
[5-Chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 65537346

Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol?
The IUPAC name of [2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol (CID 114920499) is [2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol.
What is the SMILES notation for [2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol?
The canonical SMILES for [2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol is CC(C)(C)C1CCN(c2cc(CO)c(Cl)cn2)C1.
What is the InChIKey of [2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol?
The InChIKey is FRRAEHBKPKDNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(2,3)11-4-5-17(8-11)13-6-10(9-18)12(15)7-16-13/h6-7,11,18H,4-5,8-9H2,1-3H3.
What are the key properties of [2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol?
[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol has a molecular weight of 268.79 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]methanol is sourced from PubChem (CID 114920499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).