[(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate

C13H14ClF2N3O3 — CID 175396178

IUPAC[(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate
SMILESNC(=O)OC[C@H]1CCC(F)(F)CN1C(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H14ClF2N3O3/c14-10-3-1-2-9(18-10)11(20)19-7-13(15,16)5-4-8(19)6-22-12(17)21/h1-3,8H,4-7H2,(H2,17,21)/t8-/m1/s1
InChIKeyDIIMBGWMKFQJBD-MRVPVSSYSA-N
MW333.72 g/mol
LogP2.07
Rot. Bonds3

About [(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate

[(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate (PubChem CID 175396178) has the molecular formula C13H14ClF2N3O3 and a molecular weight of 333.72 g/mol. Its IUPAC name is [(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate.

Molecular Properties

Compound Name[(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate
PubChem CID175396178
Molecular FormulaC13H14ClF2N3O3
Molecular Weight333.72 g/mol
Exact Mass333.07
IUPAC Name[(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate
SMILESNC(=O)OC[C@H]1CCC(F)(F)CN1C(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H14ClF2N3O3/c14-10-3-1-2-9(18-10)11(20)19-7-13(15,16)5-4-8(19)6-22-12(17)21/h1-3,8H,4-7H2,(H2,17,21)/t8-/m1/s1
InChIKeyDIIMBGWMKFQJBD-MRVPVSSYSA-N
XLogP2.07
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.72
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(6-chloro-3-fluoropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate
CID 175396220
[1-(2-bromo-5-methylpyridine-4-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate
CID 175396233
(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83137505
1-(6-chloropyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 55052299
[5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-4-carbonyl]piperidin-2-yl]methyl carbamate
CID 175396184
[5,5-difluoro-1-[2-methyl-5-[[4-(trifluoromethoxy)-2-pyridinyl]amino]benzoyl]piperidin-2-yl]methyl carbamate
CID 175396226
2-[4-(6-chloropyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444450
2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate
CID 83210511
1-(6-chloropyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62241098
(6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 125420218
[1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate
CID 175074313
(1R,3R)-1,3-bis[2-(aminomethyl)-5,5-difluoropiperidin-1-yl]-1,3-bis(3,6-dichloro-2-pyridinyl)propan-2-one
CID 169083134

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate?
The IUPAC name of [(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate (CID 175396178) is [(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate.
What is the SMILES notation for [(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate?
The canonical SMILES for [(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate is NC(=O)OC[C@H]1CCC(F)(F)CN1C(=O)c1cccc(Cl)n1.
What is the InChIKey of [(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate?
The InChIKey is DIIMBGWMKFQJBD-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14ClF2N3O3/c14-10-3-1-2-9(18-10)11(20)19-7-13(15,16)5-4-8(19)6-22-12(17)21/h1-3,8H,4-7H2,(H2,17,21)/t8-/m1/s1.
What are the key properties of [(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate?
[(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate has a molecular weight of 333.72 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate is sourced from PubChem (CID 175396178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).