[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol

C12H15ClF2N2O — CID 139300333

IUPAC[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol
SMILESOCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H15ClF2N2O/c13-10-5-8(7-18)6-11(17-10)16-9-1-3-12(14,15)4-2-9/h5-6,9,18H,1-4,7H2,(H,16,17)
InChIKeyJYQDKFPGTUOQHV-UHFFFAOYSA-N
MW276.71 g/mol
LogP3.22
Rot. Bonds3

About [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol

[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol (PubChem CID 139300333) has the molecular formula C12H15ClF2N2O and a molecular weight of 276.71 g/mol. Its IUPAC name is [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol
PubChem CID139300333
Molecular FormulaC12H15ClF2N2O
Molecular Weight276.71 g/mol
Exact Mass276.08
IUPAC Name[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol
SMILESOCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H15ClF2N2O/c13-10-5-8(7-18)6-11(17-10)16-9-1-3-12(14,15)4-2-9/h5-6,9,18H,1-4,7H2,(H,16,17)
InChIKeyJYQDKFPGTUOQHV-UHFFFAOYSA-N
XLogP3.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.71
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-{[6-Chloro-3-(trifluoromethyl)-2-pyridinyl]amino}-1-propanol
CID 59300447
3-{[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-propanol
CID 59300473
[6-(4-Chloro-benzylamino)-2-fluoro-pyridin-3-yl]-methanol
CID 59593272
[2-(Piperidin-4-ylamino)-6-(trifluoromethyl)pyridin-4-yl]methanol
CID 86706869
2-Chloro-6-[3-(hydroxymethyl)anilino]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 87564011
2-Chloro-6-[(4-hydroxy-2-methylbutyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 87564354
2-[[5-Amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 89013293
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]hexan-3-ol
CID 91501232
1-[2-[(4,4-Difluorocyclohexyl)amino]-6-(2-methylhydrazinyl)-4-pyridinyl]ethanol
CID 132207834
1-[4-[2-Chloro-6-[(4,4-difluorocyclohexyl)amino]pyridin-4-yl]-4-hydroxypiperidin-1-yl]ethanone
CID 139300068
6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine
CID 139300095
4-(aminomethyl)-6-chloro-N-(4,4-difluorocyclohexyl)pyridin-2-amine
CID 139300242

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol?
The IUPAC name of [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol (CID 139300333) is [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol is OCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1.
What is the InChIKey of [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol?
The InChIKey is JYQDKFPGTUOQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O/c13-10-5-8(7-18)6-11(17-10)16-9-1-3-12(14,15)4-2-9/h5-6,9,18H,1-4,7H2,(H,16,17).
What are the key properties of [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol?
[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol has a molecular weight of 276.71 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 139300333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).